name: 1-Phosphono-4-[3-(2-trifluoromethylphenoxy)phenyl]butylsulfonic Acid Tripotassium Salt


name: 1-Phosphono-4-[3-(3-trifluoromethylphenoxy)phenyl]butylsulfonic Acid Tripotassium Salt


name: 1-Phosphono-4-[3-(3-fluorophenoxy)phenyl]butylsulfonic Acid Tripotassium Salt


name: 1-Phosphono-4-(4-phenoxyphenyl)butylsulfonic Acid Tripotassium Salt


name: 1-Phosphono-4-(3-benzylphenyl)butylsulfonic Acid Tripotassium Salt


name: 1-Phosphono-4-(3-phenylaminophenyl)butylsulfonic Acid Tripotassium Salt


name: 1-Phosphono-3-(3-phenoxyphenyl)propylsulfonic Acid Tripotassium Salt


name: 1-Phosphono-4-[4-(3-propoxyphenyl)phenyl]butylsulfonic Acid Tripotassium Salt


name: 1-Phosphono-4-[4-(2,4-difluorophenyl)phenyl]butylsulfonic Acid Tripotassium Salt


name: 1-Phosphono-4-[3-(4-trifluoromethylphenoxy)phenyl]butylsulfonic Acid Tripotassium Salt


name: (1S)-1-Phosphono-4-(3-phenoxyphenyl)butylsulfonic Acid Tripotassium Salt


name: (1R)-1-Phosphono-4-(3-phenoxyphenyl)butylsulfonic Acid Tripotassium Salt


name: MAG_HUMAN Myelin-associated glycoprotein (sprot)

description: A myelin-associated glycoprotein that is encoded in the genome of human.


name: 5-Nitro-furan-2-carboxylic acid [[4-(4-bromo-phenyl)-thiazol-2-yl]-(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl ester


name: EAA1_RAT Excitatory amino acid transporter 1 (sprot)

description: An excitatory amino acid transporter 1 that is encoded in the genome of rat.


VDR_BOVIN Vitamin D3 receptor (sprot)

A vitamin D3 receptor that is encoded in the genome of cow.


name: CAC1C_MOUSE Voltage-dependent L-type calcium channel subunit alpha-1C (sprot)

description: A voltage-dependent L-type calcium channel subunit alpha-1C that is encoded in the genome of mouse.


ARS_PSEAE Arylsulfatase (sprot)

An N-acetylgalactosamine-6-sulfatase that is encoded in the genome of Pseudomonas aeruginosa PAO1.


RYR1_MOUSE Ryanodine receptor 1 (sprot)

A ryanodine receptor 1 that is encoded in the genome of mouse.


A pentacyclic ortho- and peri-fused polycyclic arene consisting of a dihydrocyclopenta[ij]tetraphene ring system with a methyl substituent at the 3-position.


A member of the class of quinazolines that is quinazoline which is substituted at positions 2 and 4 by 6-methylpyridin-2-yl and pyridin-4-ylnitrilo groups, respectively. It is an ALK5 and PKN3 kinase inhibitor.


atglistatin

A biphenyl that is 1,1'-biphenyl substituted by (dimethylcarbamoyl)amino and dimethylamino groups at positions 3 and 4', respectively. It is a potent inhibitor of adipose triglyceride lipase activity (IC50 = 700nM).


name: PLPL2_HUMAN Patatin-like phospholipase domain-containing protein 2 (sprot)

description: A patatin-like phospholipase domain-containing protein 2 that is encoded in the genome of human.


name: HDAH_ALCSD Histone deacetylase-like amidohydrolase (sprot)


name: BLO10_PSEAI Beta-lactamase OXA-10 (sprot)

description: A protein that is a translation product of the bla gene in Pseudomonas aeruginosa.


Propan-1-ol with a hydrogen at each of the 3 carbon positions substituted with a carboxylate group.


GLYCP_NIPAV Glycoprotein G (sprot)

A protein that is a translation product of the G gene in Henipavirus nipahense.


name: GLI1_HUMAN Zinc finger protein GLI1 (sprot)

description: A zinc finger protein GLI1 that is encoded in the genome of human.


name: GLI2_HUMAN Zinc finger protein GLI2 (sprot)

description: A zinc finger protein GLI2 that is encoded in the genome of human.


name: acetic acid 5-chloro-4-[2-methyl-4-(2-methyl-2H-pyrazol-3-yl)-quinolin-8-yloxymethyl]-pyridin-3-ylmethyl ester


toluene-4-sulfonic acid

An arenesulfonic acid that is benzenesulfonic acid in which the hydrogen at position 4 is replaced by a methyl group.


PAO1_MAIZE Polyamine oxidase 1 (sprot)

A protein that is a translation product of the PAO gene in maize.


DIAMINOOCTANE

An alkane-alpha,omega-diamine in which the two amino groups are separated by eight methylene groups.


tauroursodeoxycholic acid

A bile acid taurine conjugate derived from ursoodeoxycholic acid.


name: G6PC1_RAT Glucose-6-phosphatase catalytic subunit 1 (sprot)

description: A proteasome activator complex subunit 3 that is encoded in the genome of rat.


A thioadenosine that is adenosine in which the hydroxy group at C-5' is replaced by a 3-aminopropyl group.


name: SGPL1_RAT Sphingosine-1-phosphate lyase 1 (sprot)

description: A sphingosine-1-phosphate lyase 1 that is encoded in the genome of rat.


name: 3,3-Dimethyl-pentanedioic acid adamantan-2-ylamide cyclopropylamide


nitrooleic acid

A nitro fatty acid that is (9E)-octadec-9-enoic (elaidic) acid substituted by a nitro group at position 9.


A nitro fatty acid that is (9E)-octadec-9-enoic (elaidic) acid substituted by a nitro group at position 10.


(S)-RETICULINE

The (S)-enantiomer of reticuline.


name: ENTP1_HUMAN Ectonucleoside triphosphate diphosphohydrolase 1 (sprot)

description: An ectonucleoside triphosphate diphosphohydrolase 1 that is encoded in the genome of human.


name: IUNH_CRIFA Inosine-uridine preferring nucleoside hydrolase (sprot)


name: MMP12_RAT Macrophage metalloelastase (sprot)

description: A macrophage metalloelastase that is encoded in the genome of rat.


name: MMP12_MOUSE Macrophage metalloelastase (sprot)

description: A macrophage metalloelastase that is encoded in the genome of mouse.


name: PA1B2_HUMAN Platelet-activating factor acetylhydrolase IB subunit alpha2 (sprot)

description: A platelet-activating factor acetylhydrolase IB subunit alpha2 that is encoded in the genome of human.


A monohydroxypyridine that is pyridine in which the hydrogen at position 3 has been replaced by a hydroxy group. It has been detected as a thermal degradation product from the smoke of the burning leaves of Salvia divinorum, a Mexican psychoactive plant.


TRIADIMEFON

A member of the class of triazoles that is 1-hydroxy-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one in which the hydroxyl hydrogen is replaced by a 4-chlorophenyl group.


PROPICONAZOLE

The cyclic ketal obtained by formal condensation of 1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone with pentane-1,2-diol. A triazole fungicide, it is used commercially as a diastereoisomeric mixture on soft fruit (including apricots, peaches, nectarines, plums and prunes), nuts (including peanuts, pecans and almonds), mushrooms, and grasses grown for seeds.


glipizide

An N-sulfonylurea that is glyburide in which the (5-chloro-2-methoxybenzoyl group is replaced by a (5-methylpyrazin-2-yl)carbonyl group. An oral hypoglycemic agent, it is used in the treatment of type 2 diabetes mellitus.


name: 3-Methyl-4-(hexylcarbamoyloxy)benzoic acid methyl ester


name: 3-Iodo-4-(hexylcarbamoyloxy)benzoic acid methyl ester


name: n-Butylcarbamic acid 3-(1,2,3-thiadiazol-4-yl)phenyl ester


name: Dodecylcarbamic acid 2-(1,2,3-thiadiazol-4-yl)phenyl ester


name: Dodecylcarbamic acid 3-(1,2,3-thiadiazol-4-yl)phenyl ester


name: Benzylcarbamic acid 4-(1,2,3-thiadiazol-4-yl)phenyl ester


name: 4-(Hexylcarbamoyloxy)benzoic acid methyl ester


name: n-Hexylcarbamic acid 4-nitrophenyl ester


name: n-Butylcarbamic acid 4-cyanophenyl ester


name: n-Hexylcarbamic acid 4-cyanophenyl ester


name: n-Hexylcarbamic acid 4-bromophenyl ester


name: Ethylcarbamic acid 4-(4,5-dihydrothiazol-2-yl)phenyl ester


name: 2 n-Propylcarbamic acid 4-(4,5-dihydrothiazol-2-yl)phenylester


name: Benzylcarbamic acid 4-(4,5-dihydrothiazol-2-yl)phenyl ester


name: (4-Methyl)-benzylcarbamic acid 4-(4,5-dihydrooxazol-2-yl)phenyl ester


name: Cyclopentylcarbamic acid 4-(1,2,3-thiadiazol-4-yl)phenyl ester


name: Cyclohexylcarbamic acid 4-(1,2,3-thiadiazol-4-yl)phenyl ester


name: Cyclohexylcarbamic acid 4-nitrophenyl ester


name: 4-(Dodecylcarbamoyloxy)benzoic acid methyl ester


name: 4-(Cyclohexylcarbamoyloxy)benzoic acid methyl ester


name: Toluene-4-sulfonic acid 6-amino-2-(2-aminoethylsulfanyl)-pyrimidin-4-yl ester


name: Carbamic acid, (3-chloro-5-(1-((6-(2-(5-ethyl-4-methyl-2-thiazolyl)ethyl)-4-(4-morpholinyl)-2-pyridinyl)amino)ethyl)phenyl)-, 1-methylethyl ester


N-FERULOYL SEROTONIN

A member of the class of hydroxyindoles that is the N-feruloyl derivative of serotonin.


TLR7_MOUSE Toll-like receptor 7 (sprot)

A Toll-like receptor 7 that is encoded in the genome of mouse.


enoxacin

A 1,8-naphthyridine derivative that is 1,4-dihydro-1,8-naphthyridine with an ethyl group at the 1 position, a carboxy group at the 3-position, an oxo sustituent at the 4-position, a fluoro substituent at the 5-position and a piperazin-1-yl group at the 7 position. An antibacterial, it is used in the treatment of urinary-tract infections and gonorrhoea.


name: VATB2_HUMAN V-type proton ATPase subunit B, brain isoform (sprot)

description: A V-type proton ATPase subunit B, brain isoform that is encoded in the genome of human.


name: [5-(2-Fluoro-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetic acid benzyl ester


name: ACHA6_RAT Neuronal acetylcholine receptor subunit alpha-6 (sprot)

description: A neuronal acetylcholine receptor subunit alpha-6 that is encoded in the genome of rat.


A member of the class of benzamides obtained by formal condensation of the carboxy group of 3-{[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydropyrazolo[3,4-b]pyridin-4-yl]amino}-4-methylbenzoic acid with the amino group of cyclopropylamine.


name: GPR84_HUMAN G-protein coupled receptor 84 (sprot)

description: A G-protein coupled receptor 84 that is encoded in the genome of human.


A monohydroxyflavanone that is flavanone substituted by a hydroxy group at position 6.


name: ((R)-7-Methyl-9-oxo-6,7,8,9-tetrahydro-5H-10-thia-5,8-diaza-benzo[a]azulen-3-yloxy)-acetic acid methyl ester


name: BXE_CLOBO Botulinum neurotoxin type E (sprot)


name: DHB14_HUMAN 17-beta-hydroxysteroid dehydrogenase 14 (sprot)

description: A 17-beta-hydroxysteroid dehydrogenase 14 that is encoded in the genome of human.


ROHITUKINE

A member of the class of chromones that is 4H-chromen-4-one in which the hydrogens at positions 2,5,7 and 8 are replaced by methyl, hydroxy, hydroxy, and (3S,4R)-3-hydroxy-1-methylpiperidin-4-yl groups, respectively. It is an alkaloid initially isolated from Amoora rohituka and is a precursor of the anti-cancer compound flavopiridol.


CIS-RESVERATROL

The cis-stereoisomer of  resveratrol.


name: FUMH_PIG Fumarate hydratase, mitochondrial (sprot)


A triglyceride formed by acylation of the three hydroxy groups of glycerol with linoleic acid.


LYCORINE

An  indolizidine alkaloid that is 3,12-didehydrogalanthan substituted by hydroxy groups at positions and 2 and a methylenedioxy group across positions 9 and 10. Isolated from Crinum asiaticum, it  has been shown to exhibit antimalarial activity.


name: LAT3_HUMAN Large neutral amino acids transporter small subunit 3 (sprot)

description: A large neutral amino acids transporter small subunit 3 that is encoded in the genome of human.


name: GRK1_BOVIN Rhodopsin kinase GRK1 (sprot)


name: ARBK1_BOVIN Beta-adrenergic receptor kinase 1 (sprot)


name: ARBK2_BOVIN G protein-coupled receptor kinase 3 (sprot)


name: GRK5_BOVIN G protein-coupled receptor kinase 5 (sprot)


name: WDR48_HUMAN WD repeat-containing protein 48 (sprot)

description: A WD repeat-containing protein 48 that is encoded in the genome of human.


POLH_HUMAN DNA polymerase eta (sprot)

A DNA polymerase eta that is encoded in the genome of human.


POLI_HUMAN DNA polymerase iota (sprot)

A DNA polymerase iota that is encoded in the genome of human.


name: PCNA_HUMAN Proliferating cell nuclear antigen (sprot)

description: A proliferating cell nuclear antigen that is encoded in the genome of human.


name: AAKG1_RAT 5'-AMP-activated protein kinase subunit gamma-1 (sprot)

description: A 5'-AMP-activated protein kinase subunit gamma-1 that is encoded in the genome of rat.


name: CD47_HUMAN Leukocyte surface antigen CD47 (sprot)

description: A CD47 molecule that is encoded in the genome of human.


name: Thrombospondin-1 (1016-1023) (human, bovine, mouse)


RYAR_DROME RYamide receptor (sprot)

A neuropeptide FF receptor 1 that is encoded in the genome of fruit fly.


riviciclib

A synthetic dihydroxyflavone that is 5,7-dihydroxyflavone which is substituted by a (2R,3S)-2-(hydroxymethyl)-1-methylpyrrolidin-3-yl group at position 8 and by a chlorine at the 2' position. A cyclin-dependent kinase inhibitor that exhibits anti-cancer properties.


name: CCND2_HUMAN G1/S-specific cyclin-D2 (sprot)

description: A G1/S-specific cyclin-D2 that is encoded in the genome of human.


pitavastatin

A dihydroxy monocarboxylic acid that is (6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]hept-6-enoic acid in which the two hydroxy groups are located at positions 3 and 5 (the 3R,5S-stereoisomer). Used as its calcium salt for treatment of hypercholesterolemia (elevated levels of cholesterol in the blood) on patients unable to sufficiently lower their cholesterol levels by diet and exercise.


name: CDYL2_HUMAN Chromodomain Y-like protein 2 (sprot)

description: A chromodomain Y-like protein 2 that is encoded in the genome of human.


name: CDYL_HUMAN Chromodomain Y-like protein (sprot)

description: A chromodomain Y-like protein that is encoded in the genome of human.


name: CBX5_HUMAN Chromobox protein homolog 5 (sprot)

description: A chromobox protein homolog 5 that is encoded in the genome of human.


name: CDY1_HUMAN Testis-specific chromodomain protein Y 1 (sprot)

description: A testis-specific chromodomain protein Y 1 that is encoded in the genome of human.


name: CATC_CANLF Dipeptidyl peptidase 1 (Fragment) (sprot)


CATC_RAT Dipeptidyl peptidase 1 (sprot)

A dipeptidyl peptidase 1 that is encoded in the genome of rat.


TETRAHYDROBERBERINE

A berberine alkaloid that is 5,8,13,13a-tetrahydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline substituted by methoxy groups at positions 9 and 10.


CANADINE

The (S)-enantiomer of canadine.


name: AAKG1_HUMAN 5'-AMP-activated protein kinase subunit gamma-1 (sprot)

description: A 5'-AMP-activated protein kinase subunit gamma-1 that is encoded in the genome of human.


name: AAKB2_HUMAN 5'-AMP-activated protein kinase subunit beta-2 (sprot)

description: A 5'-AMP-activated protein kinase subunit beta-2 that is encoded in the genome of human.


name: KI20B_HUMAN Kinesin-like protein KIF20B (sprot)

description: A kinesin-like protein KIF20B that is encoded in the genome of human.


name: L-Tyrosine, N-[N-[N-[(phenylmethoxy)carbonyl]-L-seryl]-L-leucyl]-, methyl ester


purmorphamine

A member of the class of purines that is purine substituted at C-2 by a 1-naphthyloxy group, at C-4 by a 4-morpholinophenylamino group, and at N-9 by a cyclohexyl group.


A benzenetriol that is acetophenone in which the hydrogens at positions 2, 4, and 6 on the phenyl group are replaced by hydroxy groups. It is used as a matrix in matrix-assisted laser desorption/ionization (MALDI) mass spectrometry for the analysis of acidic glycans and glycopeptides.


name: KCNKI_HUMAN Potassium channel subfamily K member 18 (sprot)

description: A potassium channel subfamily K member 18 that is encoded in the genome of human.


name: PTGES_MOUSE Prostaglandin E synthase (sprot)

description: A prostaglandin E synthase that is encoded in the genome of mouse.


name: NTRK1_RAT High affinity nerve growth factor receptor (sprot)

description: A high affinity nerve growth factor receptor that is encoded in the genome of rat.


A member of the class of  hydroxybiphenyls formed formally by chlorination of biphenyl-4,4'-diol at C-3, -3', -5 and -5'.


name: TRPV3_MOUSE Transient receptor potential cation channel subfamily V member 3 (sprot)

description: A transient receptor potential cation channel TRPV3 that is encoded in the genome of mouse.


name: PI42C_HUMAN Phosphatidylinositol 5-phosphate 4-kinase type-2 gamma (sprot)

description: A phosphatidylinositol 5-phosphate 4-kinase type-2 gamma that is encoded in the genome of human.


name: CISD1_HUMAN CDGSH iron-sulfur domain-containing protein 1 (sprot)

description: A CDGSH iron-sulfur domain-containing protein 1 that is encoded in the genome of human.


TRYPROSTATIN A

A cyclic dipeptide that is brevianamide F (cyclo-L-Trp-L-Pro) substituted at positions 2 and 6 on the indole ring by prenyl and methoxy groups respectively.


An organic sulfate that is the 3-O-sulfate derivative of trans-resveratrol.


A member of the class of monochlorobenzenes that is benzene substituted by 2-(1,3-dinitrilopropan-2-ylidene)hydrazinyl and chloro groups at positions 1 and 3, respectively. It is a mitochondrial depolarizing agent that induces reactive oxygen species mediated cell death.


N-METHYLHISTAMINE

A primary amino compound that is the N(tele)-methyl derivative of histamine.


name: CCR10_HUMAN C-C chemokine receptor type 10 (sprot)

description: A C-C chemokine receptor type 10 that is encoded in the genome of human.


name: CCR10_MOUSE C-C chemokine receptor type 10 (sprot)

description: A C-C chemokine receptor type 10 that is encoded in the genome of mouse.


name: BEV1A_BETPN Major pollen allergen Bet v 1-A (sprot)


INDOXYL SULFATE

An aryl sulfate that is indoxyl in which the hydroxyl hydrogen is substituted by a sulfo group.


name: STXA_SHIDY Shiga toxin subunit A (sprot)


armodafinil

A 2-[(diphenylmethyl)sulfinyl]acetamide that has R configuration at the sulfur atom. Like its racemate, modafinil, it is used for the treatment of sleeping disorders such as narcolepsy, obstructive sleep apnoea, and shift-work sleep disorder. Peak concentration in the blood later occurs later following administration than with modafinil, so it is thought that armodafinil may be more effective than modafinil in treating people with excessive daytime sleepiness.


(S)-MODAFINIL

A 2-[(diphenylmethyl)sulfinyl]acetamide that has S configuration at the sulfur atom. The racemate comprising (S)-modafinil and its enantiomer, armodafinil, is known as modafinil and is used for the treatment of sleeping disorders such as narcolepsy, obstructive sleep apnoea, and shift-work sleep disorder. The enantiomers have similar pharmacological actions in animals.


name: GALT2_HUMAN Polypeptide N-acetylgalactosaminyltransferase 2 (sprot)

description: A polypeptide N-acetylgalactosaminyltransferase 2 that is encoded in the genome of human.


BENZOXAZOLINONE

A member of the class of benzoxazoles that is 2,3-dihydro-1,3-benzoxazole carrying an oxo group at position 2.


name: MIP_LEGPN Outer membrane protein MIP (sprot)


name: KEAP1_MOUSE Kelch-like ECH-associated protein 1 (sprot)

description: A kelch-like ECH-associated protein 1 that is encoded in the genome of mouse.


name: 3-Isoquinolinecarboxylic acid, 6-(((2S)-2-carboxy-4,4-difluoro-1-pyrrolidinyl)methyl)decahydro-, (3S,4aR,6S,8aR)-


name: LOX15_MOUSE Polyunsaturated fatty acid lipoxygenase ALOX15 (sprot)

description: A polyunsaturated fatty acid lipoxygenase ALOX15 that is encoded in the genome of mouse.


edaravone

A pyrazolone that is 2,4-dihydro-3H-pyrazol-3-one which is substituted at positions 2 and 5 by phenyl and methyl groups, respectively.


name: PSB8_MOUSE Proteasome subunit beta type-8 (sprot)

description: A proteasome subunit beta type-8 that is encoded in the genome of mouse.


name: GP142_MOUSE Probable G-protein coupled receptor 142 (sprot)

description: A probable G-protein coupled receptor 142 that is encoded in the genome of mouse.


clonixin

A pyridinemonocarboxylic acid that is nicotinic acid substituted at position 2 by a (2-methyl-3-chlorophenyl)amino group. Used (as its lysine salt) for treatment of renal colic, muscular pain and moderately severe migraine attacks.


name: (S)-3-(4-((3-((Isopropyl(thiophen-3-ylmethyl)amino)methyl)benzyl)oxy)phenyl)hex-4-ynoic acid Calcium Salt


name: EHMT2_MOUSE Histone-lysine N-methyltransferase EHMT2 (sprot)

description: A histone-lysine N-methyltransferase, H3 lysine-9 specific 3 that is encoded in the genome of mouse.


RHAMNETIN

A monomethoxyflavone that is quercetin methylated at position 7.


name: CCDC6_HUMAN Coiled-coil domain-containing protein 6 (sprot)

description: A coiled-coil domain-containing protein 6 that is encoded in the genome of human.


TMP778 is a potent and selective RORgt inverse agonist.


MONODICTYOCHROMONE A

A chromanone isolated from the marine derived fungus Monodictys putredinis and exhibits inhibitory activity against P450.


MONODICTYOCHROMONE B

A  chromanone isolated from the marine derived fungus Monodictys putredinis and exhibits inhibitory activity against P450.


name: FNTA_YEAST Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha (sprot)

description: A protein that is a translation product of the RAM2 gene in yeast.


cytidine 2'-phosphate

A cytidine phosphate compound having the phosphate group at the 2'-position.


name: rac-2-(4-cis-Styryl-phenoxy)-3-phenyl-propanoic Acid Sodium Salt


name: rac-2-(4-Phenylacetyl-phenoxy)-3-phenyl-propanoic Acid Sodium Salt


name: N-Carboxymethyl-oxalamic acid methyl ester


SUCCINYLACETONE

A dioxo monocarboxylic acid that is heptanoic acid in which oxo groups replace the hydrogens at positions 4 and 6. It is an abnormal metabolite of the tyrosine metabolic pathway and a marker for type 1 tyrosinaemia.


CONIFERYL ALDEHYDE

A member of the class of cinnamaldehydes that is cinnamaldehyde substituted by a hydroxy group at position 4 and a methoxy group at position 3.


PSEUDOBAPTOGENIN

A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone and in which the phenyl group at position 3 is replaced by a 1,3-benzodioxol-5-yl group.


name: PTPRE_HUMAN Receptor-type tyrosine-protein phosphatase epsilon (sprot)

description: A receptor-type tyrosine-protein phosphatase epsilon that is encoded in the genome of human.


name: SOAT2_CHLAE Sterol O-acyltransferase 2 (sprot)


name: SOAT1_CHLAE Sterol O-acyltransferase 1 (sprot)


name: PADI2_HUMAN Protein-arginine deiminase type-2 (sprot)

description: A protein-arginine deiminase type-2 that is encoded in the genome of human.


name: ELOV1_HUMAN Very long chain fatty acid elongase 1 (sprot)

description: A very long chain fatty acid elongase 1 that is encoded in the genome of human.


name: Octanedioic Acid [4-(3-Azido-5-azidomethylbenzyloxy)phenyl]-amide Hydroxyamide


name: Octanedioic Acid [4-(3-Azidophenyl)thiazol-2-yl]amide Hydroxyamide


sulfobromophthalein

An organosulfonic acid that consists of phthalide bearing four bromo substituents at positions 4, 5, 6 and 7 as well as two 4-hydroxy-3-sulfophenyl groups both located at position 1.


N-ethylmaleimide

A member of the class of  maleimides that is the N-ethyl derivative of maleimide.


varlitinib

A member of the class of quinazolines that is quinazoline substituted by {3-chloro-4-[(1,3-thiazol-2-yl)methoxy]phenyl}amino and [(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]amino groups at positions 4 and 6, respectively. It is a tyrosine kinase inhibitor of both ErbB-2 (Her-2/neu) and EGFR and has shown significant anti-tumour activity in preclinical models of human breast, lung, and epidermal carcinoma tumours.


sapitinib

A member of the class of quinazolines that is 4-amino-7-methoxyquinazoline in which the amino group has been substituted by a 3-chloro-2-fluorophenyl group and in which position 6 of the quinoline ring has been substituted by a {1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl}oxy group. Sapitinib is a dual tyrosine kinase inhibitor (TKI) of epithelial growth factor receptors (EGFR) HER2 and HER3.


A berberine alkaloid that is  berbine substituted by hydroxy groups at positions 2, 3, 9 and 10.


name: DAC_ACTSP D-alanyl-D-alanine carboxypeptidase (sprot)


name: GTR5_HUMAN Solute carrier family 2, facilitated glucose transporter member 5 (sprot)

description: A solute carrier family 2, facilitated glucose transporter member 5 that is encoded in the genome of human.


name: TASP1_HUMAN Threonine aspartase 1 (sprot)

description: A threonine aspartase 1 that is encoded in the genome of human.


bimatoprost (free acid form)

A member of the class of prostaglandins Falpha that is latanoprost free acid with a double bond at position 13.


fluprostenol

An organofluorine compound that is racemic prostaglandin F2alpha in which the pentyl group is replaced by a 3-(trifluoromethyl)phenoxymethyl group. A synthetic analogue of prostaglandin F2alpha, ophthalmic solutions of its isopropyl ester prodrug, travoprost, are used as a topical medication for controlling the progression of open-angle glaucoma and ocular hypertension, by reducing intraocular pressure. The isopropyl ester group of travoprost is hydrolysed to the biologically active free acid by esterases in the cornea.


name: 3-[2-(4-{3-[4-(3-Methoxy-benzyl)-piperazine-1-carbonyl]-adamantan-1-yl}-phenoxy)-acetylamino]-benzoic acid methyl ester


name: RAB7L_HUMAN Ras-related protein Rab-7L1 (sprot)

description: A Ras-related protein Rab-7L1 that is encoded in the genome of human.


HORDATINE A

A member of the calss of benzofurans that is a homodimer of para-coumarylagmatine where a hydroxy group of one molecule has reacted across the other molecule's ethene double bond to combine the two molecules and form a furan ring.


(E)-p-coumaroylagmatine

A p-coumaroylagmatine(1+) in which the double bond of the coumaroyl component has E-geochemistry.


name: DKK1_HUMAN Dickkopf-related protein 1 (sprot)

description: A dickkopf-related protein 1 that is encoded in the genome of human.


name: 8-Azabicyclo[3.2.1]octane-8-carboxylic acid, 3-[3-(1H-indazol-4-yl)-2-(4-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]-, ethyl ester


LYSC_CHICK Lysozyme C (sprot)

A lysozyme C that is encoded in the genome of chicken.


vidarabine

A purine nucleoside in which adenine is attached to arabinofuranose via a beta-N(9)-glycosidic bond.


α-ketoglutaric acid

An oxo dicarboxylic acid that consists of glutaric acid bearing an oxo substituent at position 2. It is an intermediate metabolite in Krebs cycle.


name: PCSK6_HUMAN Proprotein convertase subtilisin/kexin type 6 (sprot)

description: A proprotein convertase subtilisin/kexin type 6 that is encoded in the genome of human.


name: NEC1_HUMAN Neuroendocrine convertase 1 (sprot)

description: A neuroendocrine convertase 1 that is encoded in the genome of human.


name: NEC2_HUMAN Neuroendocrine convertase 2 (sprot)

description: A neuroendocrine convertase 2 that is encoded in the genome of human.


name: FCGR1_HUMAN High affinity immunoglobulin gamma Fc receptor I (sprot)

description: A high affinity immunoglobulin gamma Fc receptor I that is encoded in the genome of human.


name: FCG2A_HUMAN Low affinity immunoglobulin gamma Fc region receptor II-a (sprot)

description: A low affinity immunoglobulin gamma Fc region receptor II-a that is encoded in the genome of human.


name: FCG3B_HUMAN Low affinity immunoglobulin gamma Fc region receptor III-B (sprot)

description: A low affinity immunoglobulin gamma Fc region receptor III-B that is encoded in the genome of human.


name: Diphosphoric Acid 1''''-alpha-D-[5'''']Ribofuranosyl Ester 2-(uridin-5''-yl)ester


name: (2R,3S,5S,6S)-6-(hydrogen phosphonato)-3,5-dihydroxycyclohexane-1,2,4-triyl tris(hydrogen phosphate)


name: NEK4_HUMAN Serine/threonine-protein kinase Nek4 (sprot)

description: A serine/threonine-protein kinase Nek4 that is encoded in the genome of human.


name: C5AR1_RAT C5a anaphylatoxin chemotactic receptor 1 (sprot)

description: A C5a anaphylatoxin chemotactic receptor 1 that is encoded in the genome of rat.


name: E-6-O-p-methoxycinnamoyl scandoside methyl ester


acetic acid

A simple monocarboxylic acid containing two carbons.


propanoic acid

A short-chain saturated fatty acid comprising ethane attached to the carbon of a carboxy group.


name: 4-Phenyl-piperidine-1,4-dicarboxylic acid 1-adamantan-2-ylamide 4-amide


NR1H4_MOUSE Bile acid receptor (sprot)

A bile acid receptor that is encoded in the genome of mouse.


name: GPR88_MOUSE G protein-coupled receptor 88 (sprot)

description: A G protein-coupled receptor 88 that is encoded in the genome of mouse.


phenylthiocarbamide

A member of the class of thioureas that is thiourea in which one of the hydrogens is replaced by a phenyl group. Depending on their genetic makeup, humans find it either very bitter-tasting or tasteless. This unusual property resulted in N-phenylthiourea being used in paternity testing prior to the advent of DNA testing.


name: [2-(Piperazin-1-ylmethyl)-phenyl]-carbamic acid 2-(2-carbamimidoylbenzo[b]thiophen-4-yloxy)-2-phenyl-ethyl ester


name: (2,4-Difluoro-phenyl)-carbamic acid 2-(2-carbamimidoyl-benzo[b]thiophen-4-yloxy)-2-phenyl-ethyl ester


name: (2,6-Difluoro-phenyl)-carbamic acid 2-(2-carbamimidoyl-benzo[b]thiophen-4-yloxy)-2-phenyl-ethyl ester


name: (3,5-Dimethyl-isoxazol-4-yl)-carbamic acid 2-(2-carbamimidoyl-benzo[b]thiophen-4-yloxy)-2-phenyl-ethyl ester


name: (2,5-Dimethyl-2H-pyrazol-3-yl)-carbamic acid 2-(2-carbamimidoylbenzo[b]thiophen-4-yloxy)-2-phenyl-ethyl ester


name: (3,5-Dimethyl-1H-pyrazol-4-yl)-carbamic acid 2-(2-carbamimidoylbenzo[b]thiophen-4-yloxy)-2-phenyl-ethyl ester


name: Phenyl-carbamic acid 2-(2-carbamimidoyl-6-fluoro-benzo[b]thiophen-4-yloxy)-2-phenyl-ethyl ester


name: (2-Aminomethyl-phenyl)-carbamic acid 2-(2-carbamimidoyl-6-fluorobenzo[b]thiophen-4-yloxy)-2-phenyl-ethyl ester


name: (2-Dimethylaminomethyl-phenyl)-carbamic acid 2-(2-carbamimidoyl-6-fluorobenzo[b]thiophen-4-yloxy)-2-phenyl-ethyl ester


name: (2-Carbamimidoylbenzo[b]thiophen-4-yloxy)phenylacetic Acid Methyl Ester


name: [2-(2-Carbamimidoyl-benzo[b]thiophen-4-yloxy)-2-phenyl-ethyl]-carbamic acid phenyl ester


name: (2-Fluoro-phenyl)-carbamic acid 2-(2-carbamimidoyl-benzo[b]thiophen-4-yloxy)-2-phenyl-ethyl ester


name: (3-Fluoro-phenyl)-carbamic acid 2-(2-carbamimidoyl-benzo[b]thiophen-4-yloxy)-2-phenyl-ethyl ester


name: (4-Fluoro-phenyl)-carbamic acid 2-(2-carbamimidoyl-benzo[b]thiophen-4-yloxy)-2-phenyl-ethyl ester


name: (4-Methoxy-phenyl)-carbamic acid 2-(2-carbamimidoyl-benzo[b]thiophen-4-yloxy)-2-phenyl-ethyl ester


name: (R)-(4-Methoxy-phenyl)-carbamic acid 2-(2-carbamimidoyl-benzo[b]thiophen-4-yloxy)-2-phenyl-ethyl ester


name: (S)-(4-Methoxy-phenyl)-carbamic acid 2-(2-carbamimidoyl-benzo[b]thiophen-4-yloxy)-2-phenyl-ethyl ester


name: [4-(2-Dimethylamino-ethoxy)-phenyl]-carbamic acid 2-(2-carbamimidoylbenzo[b]thiophen-4-yloxy)-2-phenyl-ethyl ester


name: (2-Aminomethyl-phenyl)-carbamic acid 2-(2-carbamimidoyl-benzo[b]thiophen-4-yloxy)-2-phenyl-ethyl ester


name: (2-Methylamino-methyl-phenyl)-carbamic acid 2-(2-carbamimidoylbenzo[b]thiophen-4-yloxy)-2-phenyl-ethyl ester


name: (2-Dimethylaminomethyl-phenyl)-carbamic acid 2-(2-carbamimidoylbenzo[b]thiophen-4-yloxy)-2-phenyl-ethyl ester


name: PXL2A_HUMAN Peroxiredoxin-like 2A (sprot)

description: A peroxiredoxin-like 2A that is encoded in the genome of human.


A member of the class of imidazoles that is 1H-imidazole which is substituted at positions 1, 4, and 5 by cyclohexyl, p-fluorophenyl, and 2-aminopyrimidin-4-yl groups, respectively. It is a selective inhibitor of the delta- and epsilon-isoforms of casein kinase 1 (CK1delta and CK1epsilon).


name: DUS2L_HUMAN tRNA-dihydrouridine(20) synthase [NAD(P)+]-like (sprot)

description: A tRNA-dihydrouridine synthase 2-like that is encoded in the genome of human.


pacritinib

An azamacrocycle with formula C28H32N4O3. It is a Janus kinase inhibitor and its citrate salt is approved for the treatment of intermediate or high risk, primary or secondary myelofibrosis.


BROMODEOXYTOPSENTIN

An aromatic ketone that is imidazole which is substituted by a 1H-indole-3-carbonyl group and a 6-bromo-1H-indol-3-yl group at  positions 2 and 4, respectively. Isolated from the Mediterranean shallow-water sponge, Topsentia genetrix. It is a potent inhibitor of MRSA pyruvate kinase and exhibits antibacterial properties.


PHENYLALANINE AMIDE

An amino acid amide derived from L-phenylalanine.


name: 2-Methoxy-6-methyl-2-oxo-3,4-dihydro-2H-2lambda*5*-[1,2]oxaphosphinine-5-carboxylic acid methyl ester


biphenylol

A member of the class of hydroxybiphenyls that is biphenyl substituted by a hydroxy group at position 2. It is generally used as a post-harvest fungicide for citrus fruits.


name: DGLB_MOUSE Diacylglycerol lipase-beta (sprot)

description: A diacylglycerol lipase-beta that is encoded in the genome of mouse.


name: GPVI_HUMAN Platelet glycoprotein VI (sprot)

description: A platelet glycoprotein VI that is encoded in the genome of human.


name: (3-Fluorophenyl)carbamic acid, 2-isopropyl-5-methylphenyl ester


A diamine that is toluene in which both of the hydrogens ortho- to the methyl group are replaced by amino groups.


name: CSF3R_HUMAN Granulocyte colony-stimulating factor receptor (sprot)

description: A granulocyte colony-stimulating factor receptor that is encoded in the genome of human.


name: PLAP_HUMAN Phospholipase A-2-activating protein (sprot)

description: A phospholipase A-2-activating protein that is encoded in the genome of human.


DAEDALIN A

A chromenol that is 2H-chromen-6-ol substituted at position 2 by a hydroxymethyl and a methyl group ( the 2R stereoisomer). Isolated from the mycelial culture broth of Daedalea dickinsii, it exhibits tyrosinase inhibitory and radical scavenging activities.


name: 5H-Pyrrolo(1,2-d)(1,4)benzodiazepine-5-acetic acid, 6,7-dihydro-6-oxo-, phenylmethyl ester, (S)-


(S)-selisistat

A 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide that has S configuration It is the active enantiomer.


The parent member of the class of 4'-methoxyflavanones that is flavanone which is substituted by a methoxy group at the 4'-position.


name: CXCR3_RAT C-X-C chemokine receptor type 3 (sprot)

description: A C-X-C chemokine receptor type 3 that is encoded in the genome of rat.


name: CXCR3_CANLF C-X-C chemokine receptor type 3 (sprot)

description: A C-X-C chemokine receptor type 3 that is encoded in the genome of dog.


RNS_BOVIN Seminal ribonuclease (sprot)

A protein that is a translation product of the SRN gene in cow.


cytidine 5'-monophosphate

A pyrimidine ribonucleoside 5'-monophosphate having cytosine as the nucleobase.


tributyrin

A triglyceride obtained by formal acylation of the three hydroxy groups of glycerol by butyric acid.


name: ATPB_YEAST ATP synthase subunit beta, mitochondrial (sprot)

description: An ATP synthase subunit beta, mitochondrial that is encoded in the genome of yeast.


name: DHB7_HUMAN 3-keto-steroid reductase/17-beta-hydroxysteroid dehydrogenase 7 (sprot)

description: A 3-keto-steroid reductase/17-beta-hydroxysteroid dehydrogenase 7 that is encoded in the genome of human.


name: 2-(4-fluorophenyl)-6-(2-naphthylsulfanyl)-1-hexanamine; with Hydrochloric acid


name: 2-(4-fluorophenyl)-5-(2-naphthylsulfanyl)-1-pentanamine; with Hydrochloric acid


name: 2-(4-fluorophenyl)-6-(4-methylphenylsulfanyl)-1-hexanamine; with Hydrochloric acid


name: 2-(4-fluorophenyl)-7-(4-methylphenylsulfanyl)-1-heptanamine; with Hydrochloric acid


PA21B_RAT Phospholipase A2 (sprot)

A phospholipase A2 that is encoded in the genome of rat.


name: PDE4C_RAT 3',5'-cyclic-AMP phosphodiesterase 4C (Fragment) (sprot)


name: MTR1C_CHICK Melatonin receptor type 1C (sprot)

description: A protein that is a translation product of the LOC396318 gene in chicken.


DCK_MOUSE Deoxycytidine kinase (sprot)

A deoxycytidine kinase that is encoded in the genome of mouse.


GARTANIN

A member of the class of  xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1, 3, 5 and 8 and prenyl groups at positions 2 and 4.


PHENMEDIPHAM

A carbamate ester that is (3-methylphenyl)carbamic acid in which the hydrogen of the hydroxy group has been replaced by a 3-[(methoxycarbonyl)amino]phenyl group.


name: (6Z)-6-(carboxymethylene)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; sodium salt


name: TS101_HUMAN Tumor susceptibility gene 101 protein (sprot)

description: A tumor susceptibility gene 101 protein that is encoded in the genome of human.


FUTOENONE

A  neolignan with formula C20H20O5 that is isolated from Magnolia sprengeri and Piper wallichii.


name: GDE_HUMAN Glycogen debranching enzyme (sprot)

description: A glycogen debranching enzyme that is encoded in the genome of human.


sakuranetin

A flavonoid phytoalexin that is (S)-naringenin in which the hydroxy group at position 7 is replaced by a methoxy group.


name: Sodium 2-(2-Fluorophenyl)-6,7-methylenedioxyquinolin-4-yl hydrogen phosphate


name: PD2R2_RAT Prostaglandin D2 receptor 2 (sprot)

description: A prostaglandin D2 receptor DP2 that is encoded in the genome of rat.


name: KPCZ_RAT Protein kinase C zeta type (sprot)

description: A protein kinase C zeta type that is encoded in the genome of rat.


A fluoroindole that is 1H-indole in which the hydrogens at positions 3 and 6 are replaced by 1-[2-(2,2-dioxo-5,6-dihydro-4H-2lambda(6)-[1,2,5]thiadiazolo[4,3,2-ij]quinolin-1(2H)-yl)ethyl]-1,2,3,6-tetrahydropyridin-4-yl and fluoro groups, respectively. It is an inhibitor of the 5-hydroxytryptamine transporter (Ki = 2.3 nM) and an antagonist of 5-hydroxytryptamine(2A) receptor (Ki = 0.81 nM).


name: 5-beta-Ketosulfoxide imidazolyl biphenyl sulfonylurea


A member of the class of thiophenes that is thiophene substituted by a carbonyl-L-arginine and (2,1,3-benzothiadiazole-4-sulfonyl)amino groups at positions 2 and 3. It is an inhibitor of the neuropilin-1 and VEGF-A interaction and a potential anti-cancer agent.


name: TAU_RAT Microtubule-associated protein tau (sprot)

description: A microtubule-associated protein tau that is encoded in the genome of rat.


TRIFOLIN

A beta-D-galactoside compound with a 4',5,7-trihydroxychromen-3-yl group at the anomeric position.


corticorelin ovine

A corticotropin-releasing hormone from sheep composed of Ser, Gln, Glu, Pro, Pro, Ile, Ser, Leu, Asp, Leu, Val, Phe, His, Leu, Leu, Arg, Glu, Val, Leu, Glu, Met, Thr, Lys, Ala, Asp, Gln, Leu, Ala, Gln, Gln, Ala, His, Ser, Asn, Arg, Lys, Leu, Leu, Asp, Ile and Ala-NH2 residues joined in sequence.


A hydroxyisoflavone that is isoflavone substituted by hydroxy groups at positions 3' and 4'. It has been isolated from Penicillium purpurogenum.


name: 1H-Benzoimidazole-4-carboxylic acid 9-methyl-9-aza-bicyclo[3.3.1]non-3-yl ester


name: 6-Chloro-1H-benzoimidazole-4-carboxylic acid 1-aza-bicyclo[2.2.2]oct-3-yl ester


name: 1H-Benzimidazole-4-carboxylic acid quinuclidine-3-yl ester


name: 6-Chloro-1H-benzoimidazole-4-carboxylic acid 9-methyl-9-aza-bicyclo[3.3.1]non-3-yl ester


name: 3-Amino-propane-1-sulfonic acid benzyl-hydroxy-amide; hydrobromide


name: 3-Amino-propane-1-sulfonic acid hydroxyamide; hydrobromide


name: 3-Amino-propane-1-sulfonic acid hydroxy-methyl-amide; hydrobromide


name: RBBP9_HUMAN Serine hydrolase RBBP9 (sprot)

description: A serine hydrolase RBBP9 that is encoded in the genome of human.


name: 4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxylic acid (R)-(1-aza-bicyclo[2.2.2]oct-3-yl) ester


name: 4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxylic acid 1-butyl-piperidin-4-ylmethyl ester


name: 4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxylic acid 2-piperidin-1-yl-ethyl ester


RASPBERRYKETONE

A ketone that is 4-phenylbutan-2-one in which the phenyl ring is substituted at position 4 by a hydroxy group. It is found in a variety of fruits including raspberries, blackberries and cranberries, and is used in perfumery and cosmetics.


ZINGERONE

A methyl ketone that is 4-phenylbutan-2-one in which the phenyl ring is substituted at positions 3 and 4 by methoxy and hydroxy groups respectively. The major pungent component in ginger.


A member of the class of pyrazoles that is 1H-pyrazole in which the hydrogens at positions 3, 4, and 5 are replaced by N-(hydroxyacetyl)piperidin-4-yl, pyrimidin-4-yl and p-chlorophenyl groups, respectively.


name: 1H-Pyrazole-4-carboxylic acid, 1-[5,6-bis(4-hydroxyphenyl)octyl]-2,3-dihydro-3-oxo-, (R*,S*)-


name: S12A5_RAT Solute carrier family 12 member 5 (sprot)

description: A solute carrier family 12 member 5 that is encoded in the genome of rat.


name: 4,7-Dichloro-1-benzothien-2-yl sulfonylaminomethyl boronic acid


name: ILVB_YEAST Acetolactate synthase catalytic subunit, mitochondrial (sprot)

description: A protein that is a translation product of the ILV2 gene in yeast.


trans,trans-farnesyl diphosphate

The trans,trans-stereoisomer of farnesyl diphosphate.


name: {6-[(Biphenyl-4-ylmethyl)-amino]-2-[bis-(2-hydroxy-ethyl)-amino]-purin-9-yl}-acetic acid tert-butyl ester


name: GLRA3_HUMAN Glycine receptor subunit alpha-3 (sprot)

description: A glycine receptor subunit alpha-3 that is encoded in the genome of human.


name: IF4E_MOUSE Eukaryotic translation initiation factor 4E (sprot)

description: A eukaryotic translation initiation factor 4E that is encoded in the genome of mouse.


name: PSMG3_HUMAN Proteasome assembly chaperone 3 (sprot)

description: A proteasome assembly chaperone 3 that is encoded in the genome of human.


A 3',5'-cyclic purine nucleotide that is 3',5'-cyclic AMP in which the hydrogen at position 2 on the purine fragment is replaced by a 4-chlorophenylthio group.


name: 2-(4-Hydroxyphenyl)-3-[4-[2-(1-piperidinyl)ethoxy]benzoyl]benzo[b]thiophene-6-carboxylic Acid Methyl Ester


(+)-cyclazosin

A monocarboxylic acid amide obtained by formal condensation of the carboxy group of furoic acid with the secondary amino group of 6,7-dimethoxy-2-[(4aR,8aS)-octahydroquinoxalin-1-yl]quinazolin-4-amine.


DYN2_HUMAN Dynamin-2 (sprot)

A dynamin-2 that is encoded in the genome of human.


DYN1_RAT Dynamin-1 (sprot)

A dynamin-1 that is encoded in the genome of rat.


name: 1H-Indole-2-carboxylic acid, 4,6-dichloro-3-((2-oxo-1-phenyl-3-pyrrolidinylidene)methyl)-, (E)-


name: RISB_MYCTU 6,7-dimethyl-8-ribityllumazine synthase (sprot)


name: SP0F_BACSU Sporulation initiation phosphotransferase F (sprot)

description: A protein that is a translation product of the spo0F gene in Bacillus subtilis subsp. subtilis str. 168.


KINA_BACSU Sporulation kinase A (sprot)

A protein that is a translation product of the kinA gene in Bacillus subtilis subsp. subtilis str. 168.


A salicylanilide derivative with chloride substituents at C-3 and C-5 of the salicylate moiety and at C-3 and C-4 of the anilide moiety.


name: 1,1,5,5-Tetrafluorophosphopentylphosphonic acid adenylate ester


name: PGK2_HUMAN Phosphoglycerate kinase 2 (sprot)

description: A phosphoglycerate kinase 2 that is encoded in the genome of human.


3-PHOSPHOGLYCERIC ACID

The D-enantiomer of 3-phosphoglyceric acid


name: PGK1_HUMAN Phosphoglycerate kinase 1 (sprot)

description: A phosphoglycerate kinase 1 that is encoded in the genome of human.


name: 2,4-Diphenyl-cyclobutane-1,3-dicarboxylic acid mono-m-tolyl ester


A tetrapeptide that is isolated from the sea hare Dolabella auricularia. It is a potent anticancer agent which inhibits tubulin polymerization.


name: ENTC_ECOLI Isochorismate synthase EntC (sprot)

description: An isochorismate synthase EntC that is encoded in the genome of Escherichia coli K-12.


name: TRPE_SALTY Anthranilate synthase component 1 (sprot)


name: PABC_ECOLI Aminodeoxychorismate lyase (sprot)

description: An aminodeoxychorismate lyase that is encoded in the genome of Escherichia coli K-12.


name: DYR1A_MOUSE Dual specificity tyrosine-phosphorylation-regulated kinase 1A (sprot)

description: A dual specificity tyrosine-phosphorylation-regulated kinase 1A that is encoded in the genome of mouse.


NANH_VIBCH Sialidase (sprot)

A protein that is a translation product of the nanH gene in Vibrio cholerae O1 biovar El Tor str. N16961.


PHASEOLLIDIN

A member of the class of pterocarpans that is (6aR,11aR)-pterocarpan substituted by hydroxy groups at positions 3 and 9 and a prenyl group at position 10.


KITH_UREPA Thymidine kinase (sprot)

A thymidine kinase that is encoded in the genome of Ureaplasma parvum serovar 3 str. ATCC 700970.


name: 1,4-Dihydro-2-hydroxymethyl-4-(m-nitrophenyl)-6-methyl-3,5-pyridine dicarboxylic acid diethyl ester


name: 2-Acetoxymethyl-6-methyl-4-(3'-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester


name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, cyclopropylmethyl methyl ester


name: 2,6-Dimethyl-3-methoxycarbonyl-4-(3'-nitrophenyl)-1,4-dihydropyridine-5-carboxylic acid benzyl ester


name: 2,6-Dimethyl-3-methoxycarbonyl-4-(3'-nitrophenyl)-1,4-dihydropyridine-5-carboxylic acid 4-methoxybenzyl ester


name: 2,6-Dimethyl-3-methoxycarbonyl-4-(3'-nitrophenyl)-1,4-dihydropyridine-5-carboxylic acid 3,4-dimethoxybenzyl ester


CANGRELOR TETRASODIUM

An organic sodium salt that is the tetrasodium salt of cangrelor. Used as an intravenous antiplatelet drug that prevents formation of harmful blood clots in the coronary arteries.


A phospho-N-acetylmuramoyl-pentapeptide-transferase that is encoded in the genome of Bacillus subtilis subsp. subtilis str. 168.


name: (S)-2-{[(2S,4S)-1-((E)-(2S,5R)-5-Amino-2-isopropyl-6-mercapto-hex-3-enoyl)-4-phenoxy-pyrrolidine-2-carbonyl]-amino}-4-methylsulfanyl-butyric acid methyl ester with di(TFA)


nandrolone

A 3-oxo Delta(4)-steroid that is estr-4-en-3-one substituted by a beta-hydroxy group at position 17.


norsalsolinol

An isoquinolinol that is 1,2,3,4-tetrahydroisoquinoline substituted by hydroxy groups at positions 6 and 7. It is present in the dopamine-rich areas of the human brain, including the substantia nigra.


name: 3-(3,4-Dichloro-phenyl)-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester


name: Carbamic acid, 1,1-dimethylethyl-, 1-ethyl-1,2,3,3a,8,8a-hexahydro-3a-methylindeno(2,1-b)pyrrol-5-yl ester, cis-(+-)-


name: Indeno(2,1-b)pyrrol-5-ol, 1,2,3,3a,8,8a-hexahydro-1-ethyl-3a-methyl-, methylcarbamate (ester), cis-(+-)-


name: CASR_BOVIN Extracellular calcium-sensing receptor (sprot)

description: An extracellular calcium-sensing receptor that is encoded in the genome of cow.


name: EXSA_PSEAE HTH-type transcriptional regulator ExsA (sprot)

description: A protein that is a translation product of the exsA gene in Pseudomonas aeruginosa PAO1.


name: P1-Uridine 5''-P3-Phenyltriphosphate Triethylammonium Salt


name: [(1S,2R,3R,4S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-2-bicyclo[3.1.0]hexanyl]methyl phosphono hydrogen phosphate


name: 3-(3-Cyclopentyloxy-4-methoxy-benzenesulfonyl)-heptanedioic acid 1-hydroxyamide 7-(methyl-phenyl-amide)


name: LAT1_RAT Large neutral amino acids transporter small subunit 1 (sprot)

description: A large neutral amino acids transporter small subunit 1 that is encoded in the genome of rat.


melphalan

A phenylalanine derivative comprising L-phenylalanine having [bis(2-chloroethyl)amino group at the 4-position on the phenyl ring.


name: Methyl-phenyl-carbamic acid 3-(3-cyclopentyloxy-4-methoxy-benzenesulfonyl)-4-hydroxycarbamoyl-butyl ester


name: [3-(3-Cyclopentyloxy-4-methoxy-benzenesulfonyl)-4-hydroxycarbamoyl-butyl]-methyl-carbamic acid benzyl ester


name: 3-(3-Cyclopentyloxy-4-methoxy-benzenesulfonyl)-hexanedioic acid 1-hydroxyamide 6-(methyl-phenyl-amide)


name: 4-(3-Methyl-2,5-dioxo-2,5-dihydro-pyrrol-1-ylamino)-2-phenylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester


name: 4-(4-Chloro-phenyl)-1-methyl-piperidine-3-carboxylic acid 5-phenyl-pentyl ester


HEMA_I34A1 Hemagglutinin (sprot)

A hemagglutinin subtype H1 (Influenza A virus) that is encoded in the genome of the H1N1 strain A/Puerto Rico/8/1934.


imiquimod

An imidazoquinoline fused [4,5-c] carrying isobutyl and amino substituents at N-1 and C-4 respectively. A prescription medication, it acts as an immune response modifier and is used to treat genital warts, superficial basal cell carcinoma, and actinic keratosis.


XPO1_HUMAN Exportin-1 (sprot)

An exportin-1 that is encoded in the genome of human.


name: G3P_RABIT Glyceraldehyde-3-phosphate dehydrogenase (sprot)

description: A protein that is a translation product of the GAPDH gene in rabbit.


vancomycin

A complex glycopeptide from Streptomyces orientalis. It inhibits a specific step in the synthesis of the peptidoglycan layer in the Gram-positive bacteria Staphylococcus aureus and Clostridium difficile.


UTS2_MACMU Urotensin-2 (sprot)

A urotensin-2 that is encoded in the genome of Macaca mulatta.


UTS2_RAT Urotensin-2 (sprot)

A urotensin-2 that is encoded in the genome of rat.


name: (3S,6S,8aS)-6-Hydroxy-6-methyl-5-oxo-octahydro-indolizine-3-carboxylic acid 4-carbamimidoyl-benzylamide; hydrochloride


name: AGLU_ORYSJ Probable alpha-glucosidase Os06g0675700 (sprot)


SERPH_MOUSE Serpin H1 (sprot)

A serpin H1 that is encoded in the genome of mouse.


name: 9-O-[3-(3-Methyl pyridinium bromide)propyl]-berberine bromide


FENPROPIMORPH

A racemate comprising equimolar amounts of (R)- and (S)-fenpropimorph. It is a systemic fungicide, used to control a variety of fungal diseases in cereal crops.


name: Benzoic acid 8-allyl-2-oxo-2H-chromen-7-yl ester


name: Phenyl-carbamic acid 8-allyl-2-oxo-2H-chromen-7-yl ester


name: Acetic acid 8-allyl-2-oxo-2H-chromen-7-yl ester


name: MK13_MOUSE Mitogen-activated protein kinase 13 (sprot)

description: A mitogen-activated protein kinase 13 that is encoded in the genome of mouse.


name: 4-(3,5-Dichloro-pyridin-4-ylmethyl)-7-methoxy-1H-phthalazine-2-carboxylic acid methyl ester


name: Sulfamic acid, [1,1'-biphenyl]-4-yl ester


name: [5-(4-Fluorophenylcarbamoyl)Pyridin-2-Yloxy]Acetic Acid Methyl Ester


name: [5-(4-Fluoro-Benzoylamino)Pyridin-2-Yloxy]Acetic Acid Methyl Ester


name: [5-(4-Fluorophenylcarbamoyl)Pyridin-2-Yloxy]Acetic Acid Ethyl Ester


name: 3-[5-(4-Fluorophenylcarbamoyl)Pyridin-2-Ylsulfanyl]Propionic Acid Methyl Ester


name: [5-(4-Fluorophenylcarbamoyl)Pyridin-2-Ylsulfanyl]Acetic Acid 3-Fluoro-Benzyl Ester


name: [5-(4-Fluorophenylcarbamoyl)Pyridin-2-Ylsulfanyl]Acetic Acid Propyl Ester


name: PDE5A_RAT cGMP-specific 3',5'-cyclic phosphodiesterase (sprot)

description: A cGMP-specific 3',5'-cyclic phosphodiesterase that is encoded in the genome of rat.


name: 4-Amino-5-chloro-2-methoxy-benzoic acid 2-methyl-2-aza-bicyclo[2.2.2]oct-6-yl ester


DODECANOIC ANHYDRIDE

An acyclic carboxylic anhydride resulting from the formal condensation of the carboxy groups of two molecules of dodecanoic acid.


name: 1,9-di[3-(1-methyltetrahydro-1H-2-pyrrolyl)-1-pyridiniumyl]nonane; with diiodide ions


name: BLAB_AERHY Metallo-beta-lactamase type 2 (sprot)


TRYD_HUMAN Tryptase delta (sprot)

A tryptase delta that is encoded in the genome of human.


name: 3-(5,6-Diphenylfuro[2,3-d]pyrimidin-4-ylamino)propionic Acid Ethyl Ester


name: NPSR1_HUMAN Neuropeptide S receptor (sprot)

description: A neuropeptide S receptor that is encoded in the genome of human.


name: SC5A7_RAT High affinity choline transporter 1 (sprot)

description: A high affinity choline transporter 1 that is encoded in the genome of rat.


A member of the class of acetophenones that is acetophenone substituted by a hydroxy group at position 4 and a methyl group at position 2 respectively.


A C6 alkane-alpha,omega-diamine.


cadaverine

An alkane-alpha,omega-diamine comprising a straight-chain pentane core with amino substitutents at positions 1 and 5. A colourless syrupy liquid diamine with a distinctive unpleasant odour, it is a homologue of putresceine and is formed by the bacterial decarboxylation of lysine that occurs during protein hydrolysis during putrefaction of animal tissue. It is also found in plants such as soyabean.


An N-substituted ethylenediamine compound having 1-naphthyl as the substituent.


trientine

A polyazaalkane that is decane in which the carbon atoms at positions 1, 4, 7 and 10 are replaced by nitrogens.


name: (S)-2-{[1-((R)-2-Amino-3-mercapto-propionyl)-4-phenyl-piperidine-4-carbonyl]-amino}-4-methyl-pentanoic acid methyl ester


name: 6PGD_SHEEP 6-phosphogluconate dehydrogenase, decarboxylating (sprot)

description: A 6-phosphogluconate dehydrogenase, decarboxylating that is encoded in the genome of sheep.


PKD2_HUMAN Polycystin-2 (sprot)

A polycystin-2 that is encoded in the genome of human.


name: B4GT1_HUMAN Beta-1,4-galactosyltransferase 1 (sprot)

description: A beta-1,4-galactosyltransferase 1 that is encoded in the genome of human.


name: SIAT6_RAT CMP-N-acetylneuraminate-beta-1,4-galactoside alpha-2,3-sialyltransferase (sprot)

description: A CMP-N-acetylneuraminate-beta-1,4-galactoside alpha-2,3-sialyltransferase that is encoded in the genome of rat.


name: SELPL_HUMAN P-selectin glycoprotein ligand 1 (sprot)

description: A P-selectin glycoprotein ligand 1 that is encoded in the genome of human.


name: MBTA_MYCTU Salicyl-AMP ligase / salicyl-S-ArCP synthetase (sprot)


THIOPHENE CARBOXYLIC ACID

A thiophenecarboxylic acid in which the carboxy group is located at position 2.


A dicarboxylic acid diamide comprising suberic (octanedioic) acid coupled to aniline and 1,2-diaminobenzene.


exiguamine A

An alkaloid isolated from the marine sponge Neopetrosia exigua which acts as a potent inhibitor of indoleamine 2,3-dioxygenase.


name: PLTP_HUMAN Phospholipid transfer protein (sprot)

description: A phospholipid transfer protein that is encoded in the genome of human.


name: 3-Pentyl-4-phenyl-4,5-dihydro-pyrazole-1-carboxylic acid cyclohexylmet hyl-amide


name: 3-Pentyl-4-phenyl-4,5-dihydro-pyraz ole-1-carboxylic acid adamantan-2-y lamide


name: 3-Pentyl-4-phenyl-4,5-dihydro-pyraz ole-1-carboxylic acid adamantan-1-y lamide


S-propyl propanethiosulfinate

A sulfinic acid derivative obtained by formal condensation of propanethiosulfinic acid with propanethiol.


HOMOERIODICTYOL

A trihydroxyflavanone that consists of 3'-methoxyflavanone in which the three hydroxy substituents are located at positions 4', 5, and 7.


isosakuranetin

A dihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5 and 7 and a methoxy group at position 4' (the 2S stereoisomer).


A member of the class of 2,6-diaminopurines that is 9H-purine in which the hydrogens at positions 2 and 6 are replaced by amino groups.


xanthine

An oxopurine in which the purine ring is substituted by oxo groups at positions 2 and 6 and N-9 is protonated.


uric acid

An oxopurine in which the purine ring is substituted by oxo groups at positions 2, 6, and 8.


name: TNR5_HUMAN Tumor necrosis factor receptor superfamily member 5 (sprot)

description: A tumor necrosis factor receptor superfamily member 5 that is encoded in the genome of human.


name: SPTC1_HUMAN Serine palmitoyltransferase 1 (sprot)

description: A serine palmitoyltransferase 1 that is encoded in the genome of human.


name: SPTC2_HUMAN Serine palmitoyltransferase 2 (sprot)

description: A serine palmitoyltransferase 2 that is encoded in the genome of human.


name: PHO81_YEAST Phosphate system positive regulatory protein PHO81 (sprot)

description: A protein that is a translation product of the PHO81 gene in yeast.


name: PHO85_YEAST Cyclin-dependent protein kinase PHO85 (sprot)

description: A cyclin-dependent kinase 5 that is encoded in the genome of yeast.


A deoxyribonuclease-2-alpha that is encoded in the genome of human.


A 2-benzylidene-3-(cyclohexylamino)indan-1-one in which the double bond has E configuration. An inhibitor of the dual specificity phosphatase 6 (Dusp6).


name: DUS6_HUMAN Dual specificity protein phosphatase 6 (sprot)

description: A dual specificity protein phosphatase 6 that is encoded in the genome of human.


name: Phosphoric acid mono-[1-amino-1-hydroxymethyl-3-(4-octyl-phenyl)-propyl] ester


An aralkylamino compound that is indole substituted at position 3 by an aminomethyl group.


name: CXCR4_MOUSE C-X-C chemokine receptor type 4 (sprot)

description: A C-X-C chemokine receptor type 4 that is encoded in the genome of mouse.


name: CXCR4_MACMU C-X-C chemokine receptor type 4 (sprot)


name: [5-(4-Oxo-3-phenyl-3,4-dihydro-quinazolin-2-yl)-4-phenylthiazol-2-yl]-carbamic acid ethyl ester


name: {5-[3-(4-Chloro-phenyl)-4-oxo-3,4-dihydro-quinazolin-2-yl]-4-methyl-thiazol-2-yl}-carbamic acid ethyl ester


name: 2-Chlorophenylcarbamic Acid 1-Benzyl-1,2,3,4-tetrahydroquinolin-6-yl Ester


name: {3-Methyl-1-[1-(3-morpholin-4-yl-propylaminooxalyl)-propylcarbamoyl]-butyl}-carbamic acid benzyl ester


streptomycin

A amino cyclitol glycoside that consists of streptidine having a disaccharyl moiety attached at the 4-position. The parent of the streptomycin class


azaleatin

A monomethoxyflavone that is quercetin in which the hydroxy group at position 5 is replaced by a methoxy group.


name: (2alpha,3beta)-2,3-Dihydroxy-urs-12-en-28-oic acid beta-D-glucopyranosyl ester


name: Ethyl 1-(2-fluoroethyl)-4-phenylpiperidine-4-carboxylate--hydrogen chloride (1/1)


name: IMDH_ECOLI Inosine-5'-monophosphate dehydrogenase (sprot)

description: An inosine-5'-monophosphate dehydrogenase that is encoded in the genome of Escherichia coli K-12.


A member of the class of pyrazoles that is 1H-pyrazole substituted by amino, (4-hydroxyphenyl)diazenyl, and amino groups at positions 3, 4 and 5, respectively. It is a CDK9 inhibitor (IC50 = 0.35 muM) with 38-fold selectivity for CDK9/cyclin T over other CDK/cyclin complexes.


corbadrine

A catecholamine in which the 2-aminoethyl group is substituted with a hydroxy group at C-1 and a methyl group at C-2, with configurations 1R,2S. A metabolite of alpha-methyl-L-dopa, it is an alpha2-adrenergic agonist and acts as a topical nasal decongestant and vasoconstrictor, most often used in dentistry.


(-)-methadone

A 6-(dimethylamino)-4,4-diphenylheptan-3-one that has (R)-configuration. It is the active enantiomer of methadone and its hydrochloride salt is used to treat adults who are addicted to drugs such as heroin and morphine.


ESMETHADONE

A 6-(dimethylamino)-4,4-diphenylheptan-3-one that has (S)-configuration. It is the less active enantiomer of methadone and has very little activity on opioid receptors and mainly responsible for the inhibition of hERG K+ channels and thus for cardiac toxicity. The drug is currently under clinical development for the treatment of major depressive disorder.


name: 2-(5-Benzoylamino-4-oxo-6-phenyl-hexanoylamino)-3-phenyl-propionic acid benzyl ester


name: 1-[5-Benzoylamino-6-(4-benzyloxy-phenyl)-4-oxo-hexanoyl]-pyrrolidine-2-carboxylic acid benzyl ester


name: 1-[5-Benzoylamino-6-(4-benzyloxy-phenyl)-4-oxo-hexanoyl]-pyrrolidine-2-carboxylic acid tert-butyl ester


name: 1-(5-Benzoylamino-4-oxo-6-phenyl-hexanoyl)-pyrrolidine-2-carboxylic acid methyl ester


name: 1-(5-Benzoylamino-4-oxo-6-pyridin-3-yl-hexanoyl)-pyrrolidine-2-carboxylic acid benzyl ester


name: 1-[5-(2-Methyl-benzoylamino)-4-oxo-6-phenyl-hexanoyl]-pyrrolidine-2-carboxylic acid benzyl ester


A quinolone that is quinoline-5,8-dione in which the hydrogen at position 6 is replaced by an anilino group.


name: GUF1_YEAST Translation factor GUF1, mitochondrial (sprot)

description: A GTP-binding protein GUF1 that is encoded in the genome of yeast.


name: BKRB1_MOUSE B1 bradykinin receptor (sprot)

description: A B1 bradykinin receptor that is encoded in the genome of mouse.


name: BKRB1_MACMU B1 bradykinin receptor (sprot)


name: COX2_SHEEP Cytochrome c oxidase subunit 2 (sprot)


name: CP27A_HUMAN Sterol 26-hydroxylase, mitochondrial (sprot)

description: A cytochrome P450 27, mitochondrial that is encoded in the genome of human.


name: Benzoic acid 2-oxo-2,3-dihydro-benzofuran-5-yl ester


name: (E)-3-Chlorocinnamic acid 2-oxo-2,3-dihydro-benzofuran-5-yl ester


name: S6A12_RAT Sodium- and chloride-dependent betaine transporter (sprot)

description: A protein that is a translation product of the Slc6a12 gene in rat.


KPYM_RAT Pyruvate kinase PKM (sprot)

A pyruvate kinase PKM that is encoded in the genome of rat.


name: HCN2_MOUSE Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2 (sprot)

description: A potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2 that is encoded in the genome of mouse.


name: HCN1_MOUSE Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1 (sprot)

description: A potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1 that is encoded in the genome of mouse.


ivabradine

A member of the class of benzazepines that is 7,8-dimethoxy-1,3,4,5-tetrahydro-3-benzazepin-2-one in which the amide hydrogen is replaced by a [{[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl}(methyl)amino]propyl} group. Used (as its hydrochloride salt) to treat patients with angina who have intolerance to beta blockers and/or heart failure.


name: HCN4_HUMAN Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4 (sprot)

description: A potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4 that is encoded in the genome of human.


name: MAG_MOUSE Myelin-associated glycoprotein (sprot)

description: A myelin-associated glycoprotein that is encoded in the genome of mouse.


name: (R)-((R)-1-Methyl-piperidin-2-yl)-phenyl-acetic acid methyl ester


name: (R)-(4-Hydroxy-phenyl)-((R)-1-methyl-piperidin-2-yl)-acetic acid methyl ester


name: (R)-(4-Methoxy-phenyl)-(R)-piperidin-2-yl-acetic acid methyl ester


name: (R)-((R)-1-Methyl-piperidin-2-yl)-p-tolyl-acetic acid methyl ester


name: (R)-(4-Bromo-phenyl)-(R)-piperidin-2-yl-acetic acid methyl ester


name: (R)-((R)-1-Methyl-piperidin-2-yl)-m-tolyl-acetic acid methyl ester


dodecyldimethylamine N-oxide

A tertiary amine oxide resulting from the formal oxidation of the amino group of dodecyldimethylamine.


HERNIARIN

A member of the class of coumarins that is coumarin substituted by a methoxy group at position 7.


SCTR_HUMAN Secretin receptor (sprot)

A secretin receptor that is encoded in the genome of human.


AMFENAC SODIUM

An organic sodium salt having amfenac(1-) as the counterion.


name: DCMC_MOUSE Malonyl-CoA decarboxylase, mitochondrial (sprot)

description: A malonyl-CoA decarboxylase, mitochondrial that is encoded in the genome of mouse.


name: MTOR_MOUSE Serine/threonine-protein kinase mTOR (sprot)

description: A serine/threonine-protein kinase mTOR that is encoded in the genome of mouse.


name: ADH1E_HORSE Alcohol dehydrogenase E chain (sprot)

description: A protein that is a translation product of the LOC100034242 gene in horse.


METHYLPHENYLSULFOXIDE

A sulfoxide resulting from the formal oxidation of the sulfur atom of thioanisole.


THIOSEMICARBAZIDE

A member of the class of thioureas that is thiourea in which a hydrogen of one of the amino groups is replaced by an amino group.


A delta-lactam that is piperidine which is substituted by an oxo group at position 2.


name: HSP7C_BOVIN Heat shock cognate 71 kDa protein (sprot)

description: A heat shock cognate 71 kDa protein that is encoded in the genome of cow.


name: PHLP2_HUMAN PH domain leucine-rich repeat-containing protein phosphatase 2 (sprot)

description: A PH domain leucine-rich repeat-containing protein phosphatase 2 that is encoded in the genome of human.


BROMFENAC SODIUM

The sodium salt of bromfenac. Note that 'bromfenac sodium' commonly refers to the sesquihydrate (120638-55-3); this is the anhydrous form.


name: MENB_MYCTU 1,4-dihydroxy-2-naphthoyl-CoA synthase (sprot)

description: A 1,4-dihydroxy-2-naphthoyl-CoA synthase that is encoded in the genome of Mycobacterium tuberculosis H37Rv.


name: Piperidine-1-carboxylic acid adamantan-2-yl ester


name: (R)-3-Isopropoxycarbonylamino-pyrrolidine-1-carboxylic acid adamantan-2-yl ester


name: (R)-3-Propoxycarbonylamino-pyrrolidine-1-carboxylic acid adamantan-2-yl ester


name: (R)-3-Benzyloxycarbonylamino-pyrrolidine-1-carboxylic acid adamantan-2-yl ester


name: (R)-3-(3,3-Dimethyl-butyrylamino)-pyrrolidine-1-carboxylic acid adamantan-2-yl ester


name: (R)-3-(tert-Butoxycarbonyl-methyl-amino)-pyrrolidine-1-carboxylic acid adamantan-2-yl ester


name: (R)-3-(Benzyl-tert-butoxycarbonyl-amino)-pyrrolidine-1-carboxylic acid adamantan-2-yl ester


name: (R)-3-tert-Butoxycarbonylamino-pyrrolidine-1-carboxylic acid 5-hydroxy-adamantan-2-yl ester


name: (R)-3-tert-Butoxycarbonylamino-pyrrolidine-1-carboxylic acid 5-acetylamino-adamantan-2-yl ester


name: (R)-3-tert-Butoxycarbonylamino-pyrrolidine-1-carboxylic acid 5-methoxycarbonyl-adamantan-2-yl ester


name: (R)-3-tert-Butoxycarbonylamino-pyrrolidine-1-carboxylic acid 5-hydroxymethyl-adamantan-2-yl ester


name: (R)-3-tert-Butoxycarbonylamino-pyrrolidine-1-carboxylic acid 5-(1-hydroxy-1-methyl-ethyl)-adamantan-2-yl ester


name: (R)-3-tert-Butoxycarbonylamino-pyrrolidine-1-carboxylic acid 5-carbamoyl-adamantan-2-yl ester


name: (S)-3-tert-Butoxycarbonylamino-pyrrolidine-1-carboxylic acid 5-carbamoyl-adamantan-2-yl ester


name: (R)-3-tert-Butoxycarbonylamino-pyrrolidine-1-carboxylic acid 5-cyano-adamantan-2-yl ester


name: (R)-3-(4-Trifluoromethyl-pyrimidin-2-ylamino)-pyrrolidine-1-carboxylic acid 5-carbamoyl-adamantan-2-yl ester


name: (R)-3-(2-Trifluoromethyl-pyrimidin-4-ylamino)-pyrrolidine-1-carboxylic acid 5-carbamoyl-adamantan-2-yl ester


name: (R)-3-(2,6-Dimethyl-pyrimidin-4-ylamino)-pyrrolidine-1-carboxylic acid 5-carbamoyl-adamantan-2-yl ester


name: (R)-3-(5-Trifluoromethyl-[1,3,4]thiadiazol-2-ylamino)-pyrrolidine-1-carboxylic acid 5-carbamoyl-adamantan-2-yl ester


name: (R)-3-(3-Trifluoromethyl-pyridin-2-ylamino)-pyrrolidine-1-carboxylic acid 5-carbamoyl-adamantan-2-yl ester


name: (R)-3-(4-Trifluoromethyl-pyridin-2-ylamino)-pyrrolidine-1-carboxylic acid 5-carbamoyl-adamantan-2-yl ester


name: (R)-3-(5-Trifluoromethyl-pyridin-2-ylamino)-pyrrolidine-1-carboxylic acid 5-carbamoyl-adamantan-2-yl ester


name: (R)-3-(6-Trifluoromethyl-pyridin-2-ylamino)-pyrrolidine-1-carboxylic acid 5-carbamoyl-adamantan-2-yl ester


name: (S)-3-(3-Trifluoromethyl-pyridin-2-ylamino)-pyrrolidine-1-carboxylic acid 5-carbamoyl-adamantan-2-yl ester


name: (S)-3-(5-Trifluoromethyl-pyridin-2-ylamino)-pyrrolidine-1-carboxylic acid 5-carbamoyl-adamantan-2-yl ester


name: (R)-3-(3-Cyano-pyridin-2-ylamino)-pyrrolidine-1-carboxylic acid 5-carbamoyl-adamantan-2-yl ester


name: (R)-3-(5-Cyano-pyridin-2-ylamino)-pyrrolidine-1-carboxylic acid 5-carbamoyl-adamantan-2-yl ester


name: (S)-3-(3-Cyano-pyridin-2-ylamino)-pyrrolidine-1-carboxylic acid 5-carbamoyl-adamantan-2-yl ester


name: (S)-3-(5-Cyano-pyridin-2-ylamino)-pyrrolidine-1-carboxylic acid 5-carbamoyl-adamantan-2-yl ester


name: Carbamic acid, ((1R,3aR,4aR,6R,8aR,9S,9aS)-9-((1E)-2-(2,3'-bipyridin)-6'-ylethenyl)dodecahydro-1-methyl-3-oxonaphtho(2,3-C)furan-6-yl)-, ethyl ester


name: 1,2-Bis(9H-beta-carboline-3-carboxylic acid tert-butyl ester)ethyne


name: 1,4-Bis(9H-beta-carboline-3-carboxylic acid tert-butyl ester)buta-1,3-diyne


name: (S)-beta-Carboline-3-carboxylic acid sec-butyl ester


name: 6-Ethynl-9H-beta-carboline-3-carboxylic acid t-butyl ester


name: 6-Iodo-9H-beta-carboline-3-carboxylic acid t-butyl ester


name: 6-Trimethylsilanylethynyl-9H-beta-carboline-3-carboxylic acid t-butyl ester


The conjugate base of 3-nitropropanoic acid; major species at pH 7.3.


name: FADS1_RAT Acyl-CoA (8-3)-desaturase (sprot)

description: An acyl-CoA (8-3)-desaturase that is encoded in the genome of rat.


name: DYR1_ECOLX Dihydrofolate reductase type 1 (sprot)

description: A protein that is a translation product of any of the plasmid-encoded copies of the dhfrI gene in Escherichia coli.


name: Pyrrole-2-carboxylic acid, 5-methyl-, 3'-ester with N-(7-((6-deoxy-4-O-methyl-5-C-methyl-alpha-L-lyxo-hexopyranosyl)oxy)-4-hydroxy-8-methyl-2-oxo-2H-benzopyran-7-yl)benzamide


oxybuprocaine

A benzoate ester in which 4-amino-3-butoxybenzoic acid and 2-(diethylamino)ethanol have combined to form the ester bond; an ester-based local anaesthetic (ester "caine") used especially in ophthalmology and otolaryngology.


mianserin

A dibenzoazepine (specifically 1,2,3,4,10,14b-hexahydrodibenzo[c,f]pyrazino[1,2-a]azepine) methyl-substituted on N-2. Closely related to (and now mostly superseded by) the tetracyclic antidepressant mirtazapinean, it is an atypical antidepressant used in the treatment of depression throughout Europe and elsewhere.


name: ALF_HELPY Fructose-bisphosphate aldolase (sprot)

description: A protein that is a translation product of the fba gene in Helicobacter pylori 26695.


name: ALF_CANAL Fructose-bisphosphate aldolase (sprot)

description: A protein that is a translation product of the FBA1 gene in Candida albicans SC5314.


chlorprothixene

A chlorprothixene in which the double bond adopts a (Z)-configuration.


prilocaine

An  amino acid amide in which N-propyl-DL-alanine and 2-methylaniline have combined to form the amide bond; used as a local anaesthetic.


procaine

A benzoate ester, formally the result of esterification of 4-aminobenzoic acid with 2-diethylaminoethanol but formed experimentally by reaction of ethyl 4-aminobenzoate with 2-diethylaminoethanol.


benzocaine

A benzoate ester having 4-aminobenzoic acid as the acid component and ethanol as the alcohol component. A surface anaesthetic, it is used to suppress the gag reflex, and as a lubricant and topical anaesthetic on the larynx, mouth, nasal cavity, respiratory tract, oesophagus, rectum, urinary tract, and vagina.


etazolate

A pyrazolopyridine that is 1H-pyrazolo[3,4-b]pyridine which is substituted at positions 1, 4, and 5 by ethyl, 2-isopropylidenehydrazino, and ethoxycarbonyl groups, respectively. A phosphodiesterase IV inhibitor with antidepressant and anxiolytic properties.


cilostazol

A lactam that is 3,4-dihydroquinolin-2(1H)-one in which the hydrogen at position 6 is substituted by a 4-(1-cyclohexyl-1H-tetrazol-5-yl)butoxy group.


name: AA3R_BOVIN Adenosine receptor A3 (sprot)


doxepin

A dibenzooxepine that is 6,11-dihydrodibenzo[b,e]oxepine substituted by a 3-(dimethylamino)propylidene group at position 11. It is used as an  antidepressant drug.


etidocaine

An amino acid amide in which 2-[ethyl(propyl)amino]butanoic acid  and 2,6-dimethylaniline have combined to form the amide bond. Used as a local anaesthetic (amide caine), it has rapid onset and long action properties, similar to bupivacaine, and is given by injection during surgical procedures and during labour and delivery.


strychnine

A monoterpenoid indole alkaloid that is strychnidine bearing a keto substituent at the 10-position.


diphenidol

A tertiary alcohol that is butan-1-ol substituted by two phenyl groups at position 1 and a piperidin-1-yl group at position 4.


picrotoxin

A mixture consisting of equimolar amounts of picrotoxinin and picrotin found in the climbing plant Anamirta cocculus.


pramocaine

A member of the class of morpholines that is morpholine substituted at the nitrogen atom by a 3-(4-butoxyphenoxy)propyl group.


name: 2-{[2-(4-Amino-4-carboxy-butyrylamino)-2-carboxyethoxy]-hydroxy-phosphoryloxy}pentanedioic acid pentapotassium salt


A member of the class of psoralens that is psoralen substituted by a 4-phenylbutoxy group at position 5. It is a potent inhibitor of the voltage-gated potassium channel Kv1.3 (EC50 = 3 nM).


name: VRK1_HUMAN Serine/threonine-protein kinase VRK1 (sprot)

description: A serine/threonine-protein kinase VRK1 that is encoded in the genome of human.


name: CCR2_RAT C-C chemokine receptor type 2 (sprot)

description: A C-C chemokine receptor type 2 that is encoded in the genome of rat.


5'-CARBOXY ADENOSINE

A purine nucleoside having adenine as the nucleobase and a carboxy group at C-5'.


1,3-Dimethylxanthine in which the hydrogen at position 8 is substituted by chlorine.


CHIT_YEAST Endochitinase (sprot)

A protein that is a translation product of the CTS1 gene in yeast.


name: PGH1_RABIT Prostaglandin G/H synthase 1 (sprot)

description: A prostaglandin G/H synthase 1 that is encoded in the genome of rabbit.


name: PGH2_RABIT Prostaglandin G/H synthase 2 (sprot)


A carboxamide resulting from the formal condensation of the carboxy group of 2-thienylacetic acid with the amino group of methyl 3-aminothiophene-2-carboxylate. It is a selective inhibitor of c-Jun N-terminal kinases (JNKs).


name: 1,4a,6a-Trimethyl-2-oxo-hexadecahydro-indeno[5,4-f]quinoline-7-carboxylic acid methyl ester


name: 2-(1,4a,6a-Trimethyl-2-oxo-hexadecahydro-indeno[5,4-f]quinolin-7-yl)-propionic acid methyl ester


name: (E)-6-Naphthalen-2-yl-4-oxohex-5-enoic acid glycinamide ethyl ester


(S)-nicardipine

The S-enantiomer of nicardipine.


(R)-nicardipine

The R-enantiomer of nicardipine.


2,4-diaminobutyric acid

A diamino acid that is butyric acid in which a hydrogen at position 2 and a hydrogen at position 4 are replaced by amino groups.


name: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER


name: Adenosine 5'-(tetrahydrogen triphosphate), 3'-O-methyl-


name: [(2R,3S,4R)-5-(6-butylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate


name: [1-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]butoxy-hydroxyphosphoryl] phosphono hydrogen phosphate


name: [1-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]ethoxy-hydroxyphosphoryl] phosphono hydrogen phosphate


MANZAMINE A

An alkaloid of the class of beta-carbolines isolated from Haliclona and Acanthostrongylophora. It exhibits inhibitory activity against Glycogen Synthase Kinase-3 (EC 2.7.11.26).


name: ABCA1_MOUSE Phospholipid-transporting ATPase ABCA1 (sprot)

description: A phospholipid-transporting ATPase ABCA1 that is encoded in the genome of mouse.


liphagal

A meroterpenoid isolated from the marine sponge Aka coralliphaga and has been shown to exhibit inhibitory activity against phosphatidylinositol-3-OH kinase.


AOXA_RABIT Aldehyde oxidase 1 (sprot)

A protein that is a translation product of the AOX1 gene in rabbit.


AOXA_MACFA Aldehyde oxidase 1 (sprot)

A protein that is a translation product of the AOX1 gene in Macaca fascicularis.


ISOVANILLIN

A member of the class of benzaldehydes that is 4-methoxybenzaldehyde substituted by a hydroxy group at position 3. It is an inhibitor of aldehyde oxidase.


AOXA_MOUSE Aldehyde oxidase 1 (sprot)

An aldehyde oxidase that is encoded in the genome of mouse.


name: TPIS_TRYCR Triosephosphate isomerase, glycosomal (sprot)


An  androstanoid that is (5alpha)-androst-3-ene substituted by an oxo group at position 5.


PYRAZOLE

The 1H-tautomer of pyrazole.


name: ADH1S_HORSE Alcohol dehydrogenase S chain (sprot)

description: A protein that is a translation product of the LOC100034175 gene in horse.


fomepizole

A member of the class of  pyrazoles that is 1H-pyrazole substituted by a methyl group at position 4.


MONOFLUOROACETAMIDE

Acetamide substituted at C-2 by a fluorine atom.


acrylamide

A member of the class of acrylamides that results from the formal condensation of acrylic acid with ammonia.


A monocarboxylic acid amide that is acetamide substituted by a phenyl group at position 2.


IPOMOTAOSIDE A

A  resin glycoside that is the  tetrasaccharide derivative of jalapinolic acid. Isolated from Ipomoea batatas, it exhibits inhibitory activity against COX-1 and COX-2.


IPOMOTAOSIDE B

A resin glycoside that is the tetrasaccharide derivative of jalapinolic acid. It has been isolated from Ipomoea batatas.


name: 4-{2-[3-(3-Adamantan-1-yl-ureido)-phenoxy]-ethyl}-piperazine-1-carboxylic acid tert-butyl ester


name: 4-{3-[3-(3-Adamantan-1-yl-ureido)-phenoxy]-propyl}-piperazine-1-carboxylic acid tert-butyl ester


name: 4-{5-[3-(3-Adamantan-1-yl-ureido)-phenoxy]-pentyl}-piperazine-1-carboxylic acid tert-butyl ester


name: 4-{3-[2-(3-Adamantan-1-yl-ureido)-phenoxy]-propyl}-piperazine-1-carboxylic acid tert-butyl ester


name: 4-{4-[2-(3-Adamantan-1-yl-ureido)-phenoxy]-butyl}-piperazine-1-carboxylic acid tert-butyl ester


name: 4-{3-[4-(3-Adamantan-1-yl-ureido)-phenoxy]-propyl}-piperazine-1-carboxylic acid tert-butyl ester


name: 4-{4-[4-(3-Adamantan-1-yl-ureido)-phenoxy]-butyl}-piperazine-1-carboxylic acid tert-butyl ester


name: 4-{4-[3-(3-Adamantan-1-yl-ureido)-phenoxy]-butyl}-piperazine-1-carboxylic acid tert-butyl ester


PRIO_MOUSE Major prion protein (sprot)

A major prion protein that is encoded in the genome of mouse.


name: SYM_HAEIN Methionine--tRNA ligase (sprot)


name: AUR1_CANAL Inositol phosphorylceramide synthase (sprot)

description: A protein that is a translation product of the AUR1 gene in Candida albicans SC5314.


name: AUR1_YEAST Inositol phosphorylceramide synthase catalytic subunit AUR1 (sprot)

description: A protein that is a translation product of the AUR1 gene in yeast.


name: XDH_RAT Xanthine dehydrogenase/oxidase (sprot)

description: A xanthine dehydrogenase/oxidase that is encoded in the genome of rat.


name: GLFT2_MYCTU Galactofuranosyltransferase GlfT2 (sprot)

description: A protein that is a translation product of the glfT2 gene in Mycobacterium tuberculosis H37Rv.


name: ENV_HV1Y2 Envelope glycoprotein gp160 (sprot)


ADA_MOUSE Adenosine deaminase (sprot)

An adenosine deaminase that is encoded in the genome of mouse.


estramustine phosphate

A steroid phosphate which is the 17-O-phospho derivative of estramustine.


NITRIC ACID

A nitrogen oxoacid of formula HNO3 in which the nitrogen atom is bonded to a hydroxy group and by equivalent bonds to the remaining two oxygen atoms.


PHYSCION

A dihydroxyanthraquinone that is 9,10-anthraquinone bearing hydroxy substituents at positions 1 and 8, a methoxy group at position 3, and a methyl group at position 6. It has been widely isolated and characterised from both terrestrial and marine sources.


name: IMDH2_MOUSE Inosine-5'-monophosphate dehydrogenase 2 (sprot)

description: An inosine-5'-monophosphate dehydrogenase 2 that is encoded in the genome of mouse.


A member of the class of tryptamines that is tryptamine in which the the indole ring has been substituted by a hydroxy group at position 4.


A metabolite of thioguanine, a drug used in cancer chemotherapy.


name: Isoquinolinium (8CI), 2,2'-decamethylenedi-, dibromide


GEVOTROLINE

A beta-carboline that is 2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole which is substituted by a 3-(pyridin-3-yl)propyl group at position 2 and a fluoro group at position 8.


name: Propionic acid 1-[4-(4-fluoro-phenyl)-4-oxo-butyl]-4-phenyl-piperidin-4-yl ester


name: Propionic acid 1-[4-(4-fluoro-phenyl)-4-oxo-butyl]-3-methyl-4-phenyl-piperidin-4-yl ester


name: Thiazolidine-2-carboxylic acid adamantan-2-ylamide hydrochloride


name: 2-(Adamantan-2-ylcarbamoyl)-thiazolidine-3-carboxylic acid tert-butyl ester


name: Thiazolidine-2,3-dicarboxylic acid 2-adamantan-2-ylamide 3-phenylamide


name: 4-{[3-(3,4-Dichloro-benzenesulfonyl)-thiazolidine-2-carbonyl]-amino}-adamantane-1-carboxylic acid methyl ester


ACAA

An amidobenzoic acid that is anthranilic acid in which one of the anilino hydrogens is replaced by a 4-pentylcinnamoyl group. It is a transient receptor potential (TRP) channel blocker and phospholipase A2 (PLA2) inhibitor.


name: [1-(2-Oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-ylcarbamoyl)-2-phenyl-ethyl]-carbamic acid tert-butyl ester


name: [3-(2-Chloro-benzoylamino)-5-(2-fluoro-phenyl)-2-oxo-2,3-dihydro-benzo[e][1,4]diazepin-1-yl]-acetic acid ethyl ester


name: (3-Formylamino-2-oxo-5-phenyl-2,3-dihydro-benzo[e][1,4]diazepin-1-yl)-acetic acid ethyl ester


BGAL_MOUSE Beta-galactosidase (sprot)

A eukaryotic-type beta-galactosidase that is encoded in the genome of mouse.


NAGZ_PSEAE Beta-hexosaminidase (sprot)

A beta-hexosaminidase that is encoded in the genome of Pseudomonas aeruginosa PAO1.


name: REST_BORBU Telomere resolvase ResT (sprot)

description: A protein that is a translation product of the resT gene in Borreliella burgdorferi B31.


chaulmoogric acid

A monounsaturated long-chain fatty acid composed of tridecanoic acid having a 2-cyclopentenyl substituent at the 13-position.


name: 2-{4-[4-(4,4-Dimethyl-2,6-dioxo-piperidin-1-yl)-butyl]-piperazin-1-yl}-nicotinic acid methyl ester


name: 2,3-Dihydro-6,7-dimethoxy-1-methyl-3-oxo-4-isoquinolinepropanoic acid methyl ester


glutathione

A tripeptide compound consisting of glutamic acid attached via its side chain to the N-terminus of cysteinylglycine.


S-METHYLGLUTATHIONE

An S-substituted glutathione that is glutathione in which the mercapto hydrogen has been replaced by a methyl group.


acemetacin

A carboxylic ester that is the carboxymethyl ester of indometacin. A non-steroidal anti-inflammatory drug, it is used in the treatment of rheumatoid arthritis, osteoarthritis, and low back pain, as well as for postoperative pain and inflammation. Its activity is due to both acemetacin and its major metabolite, indometacin.


name: NAT_MYCSM Arylamine N-acetyltransferase (sprot)


name: ERO1A_HUMAN ERO1-like protein alpha (sprot)

description: An ERO1-like protein alpha that is encoded in the genome of human.


VERATRIC ACID

A member of the class of benzoic acids that is benzoic acid substituted by methoxy groups at positions 2 and 3.


A dimethoxybenzene with the methoxy groups at ortho-positions.


3-HYDROXYBENZOIC ACID

A monohydroxybenzoic acid that is benzoic acid substituted by a hydroxy group at position 3. It has been isolated from Taxus baccata. It is used as an intermediate in the synthesis of plasticisers, resins, pharmaceuticals, etc.


name: MDTK_ECOLI Multidrug resistance protein MdtK (sprot)

description: A multidrug resistance protein MdtK that is encoded in the genome of Escherichia coli K-12.


(R)-ICLAPRIM

A 5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine in which the chiral centre has R configuration.


(S)-ICLAPRIM

A 5-[(2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl)methyl]pyrimidine-2,4-diamine in which the chiral centre has S configuration.


CATE_MOUSE Cathepsin E (sprot)

A cathepsin E that is encoded in the genome of mouse.


name: SOAT2_RAT Sterol O-acyltransferase 2 (sprot)

description: A sterol O-acyltransferase 2 that is encoded in the genome of rat.


name: Propionic acid 1-[4-hydroxy-3-(thiazol-2-ylcarbamoyl)-8-trifluoromethyl-quinolin-2-yl]-propyl ester


name: EDNRB_MOUSE Endothelin receptor type B (sprot)

description: An endothelin receptor type B that is encoded in the genome of mouse.


name: ANPRB_HUMAN Atrial natriuretic peptide receptor 2 (sprot)

description: An atrial natriuretic peptide receptor 2 that is encoded in the genome of human.


name: ACM5_MOUSE Muscarinic acetylcholine receptor M5 (sprot)

description: A muscarinic acetylcholine receptor M5 that is encoded in the genome of mouse.


name: STAT1_MOUSE Signal transducer and activator of transcription 1 (sprot)

description: A signal transducer and activator of transcription 1 that is encoded in the genome of mouse.


name: 4-[2-Methoxy-5-(5-oxo-pyrrolidin-3-yl)-phenoxy]-butyric acid ethyl ester


ZM 323881

A member of the class of quinazolines carrying 2-fluoro-4-methyl-5-hydroxyanilino and benzyloxy substituents at positions 4 and 7 respectively.


name: Biphenyl-2-ylcarbamic acid 1-(2-aminoethyl)piperidin-4-yl ester


An icosanoid that is (6E,8Z,11Z,13E)-icosatetraenoic acid substituted at positions 5 and 15 by oxo and hydroxy groups respectively.


name: [5-Amino-5-(2-{2-[4-(6-oxo-1,3-dipropyl-2-thioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetylamino}-ethylcarbamoyl)-pentyl]-carbamic acid benzyl ester; TFA


name: [5-Amino-5-(2-{2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetylamino}-ethylcarbamoyl)-pentyl]-carbamic acid benzyl ester; TFA


name: MAO2_ECOLI NADP-dependent malic enzyme (sprot)

description: A prokaryotic NADP-dependent malic enzyme that is encoded in the genome of Escherichia coli K-12.


name: 5-(1-Hydroxy-naphthalen-2-yl)-pentanoic acid ethyl ester


name: 3-(1-Hydroxy-naphthalen-2-yl)-propionic acid ethyl ester


name: 3-(1-Hydroxy-naphthalen-2-yl)-acrylic acid ethyl ester


name: Acetic acid 2-benzyl-naphthalen-1-yl ester


CD22_MOUSE B-cell receptor CD22 (sprot)

A B-cell receptor CD22 that is encoded in the genome of mouse.


name: AKT1_MOUSE RAC-alpha serine/threonine-protein kinase (sprot)

description: A RAC-alpha serine/threonine-protein kinase that is encoded in the genome of mouse.


avibactam

A member of the class of azabicycloalkanes that is (2S,5R)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxamide in which the amino hydrogen at position 6 is replaced by a sulfooxy group. Used (in the form of its sodium salt) in combination with ceftazidime pentahydrate for the treatment of complicated urinary tract infections including pyelonephritis.


name: MRP3_HUMAN ATP-binding cassette sub-family C member 3 (sprot)

description: An ATP-binding cassette sub-family C member 3 that is encoded in the genome of human.


A trihydroxyflavanone that is (2S)-5,7,2'-trihydroxyflavanone substituted by prenyl groups at positions 8 and 3'. Isolated from Dalea boliviana, it exhibits inhibitory activity against  tyrosinase.


A  phenylethanoid that is the 4-O-E-caffeoyl-O-[beta-D-apiofuranosyl-(1->2)]-beta-D-glucopyranosyl derivative of 4-(2-hydroxyethyl)phenol. Isolated from  Lepisorus contortus, it exhibits inhibitory activities against  aromatase and NF-kappaB.


A trihydroxyflavanone that is hesperetin substituted by a prenyl group at position 8. Isolated from Macaranga conifera, it exhibits inhibitory activity against breast cancer resistance protein.


A tetrahydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5, 7,  3' and 5' and prenyl groups at positions 6 and 8 respectively. It has been isolated from natural product found in Macaranga conifera.


A tetrahydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5, 7, 3' and 5' and a geranyl group at position 8. Isolated from Macaranga bicolor, it exhibits inhibitory activity against breast cancer resistance protein.


A dihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5 and 7, a methoxy group at position 4' and a prenyl group at position 8. It has been isolated from Macaranga bicolor.


MACARANGIN

A  tetrahydroxyflavone that is flavone substituted by hydroxy groups at positions 3, 5, 7 and 4' and a geranyl group at position 6. It has been isolated from  Macaranga bicolor.


SOPHORAFLAVANONE A

A trihydroxyflavanone that is (S)-naringenin substituted by a geranyl group at position 8. Isolated from Macaranga bicolor, it exhibits antibacterial and antineoplastic activities.


PACHYPODOL

A trimethoxyflavone that is quercetin in which the hydroxy groups at position 3, 7 and 3' are replaced by methoxy groups. It has been isolated from  Combretum quadrangulare and Euodia elleryana.


A trihydroxyflavone that is flavone substituted by hydroxy groups at positions 5, 7 and 3', methoxy groups at positions 3 and 5' and a prenyl group at position 2'. Isolated from Tabernaemontana macrocarpa, it exhibits inhibitory activity against breast cancer resistance protein.


An extended flavonoid that is flavone substituted by hydroxy groups at positions 5, 2', 4' and 5', a 3-(hydroxymethyl)but-2-en-1-yl group at position 3 and a 6,6-dimethyl-3,6-dihydro-2H-pyran group across positions 7 and 8. It has been isolated from Artocarpus odoratissimus.


CADH2_HUMAN Cadherin-2 (sprot)

A cadherin-2 that is encoded in the genome of human.


name: PLGF_HUMAN Placenta growth factor (sprot)

description: A placenta growth factor that is encoded in the genome of human.


name: PLGF_MOUSE Placenta growth factor (sprot)

description: A placenta growth factor that is encoded in the genome of mouse.


name: Benzoic acid 1-Phenylsulfanylmethyl-1H-[1,2,3]Triazol-4-ylmethyl Ester


TYROSOL

A phenol substituted at position 4 by a 2-hydroxyethyl group.


(3-chloro-4-hydroxyphenyl)acetic acid

A hydroxy monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 3-chloro-4-hydroxyphenyl group. It is a major chlorinated metabolite of chlorotyrosine.


name: AP2S1_RAT AP-2 complex subunit sigma (sprot)

description: An AP-2 complex subunit sigma that is encoded in the genome of rat.


name: 4-(2-Fluoroethyl)-N-(4-(4-(2-(2-Fluoroethoxy)phenyl)piperazin-1-yl)-trans-butyl-2-enyl)benzamide oxalic acid salt


name: 4-(Thiophen-3-yl)-N-(4-(4-(2-(2-fluoroethoxy)phenyl)piperazin-1-yl)butyl)benzamide oxalic acid salt


name: 4-(2-Fluoroethoxy)-N-(4-(4-(2-(2-fluoroethoxy)phenyl)piperazin-1-yl)butyl)benzamide oxalic acid salt


name: 4-(Dimethylamino)-N-(4-(4-(2-(2-fluoroethoxy)phenyl)piperazin-1-yl)butyl)benzamide oxalic acid salt


name: 4-(2-(2-(2-Fluoroethoxy)ethoxy)ethoxy)-N-(4-(4-(2-methoxyphenyl)piperazin-1-l)butyl)benzamide oxalic acid salt


name: 4-(2-Fluoroethoxy)-N-(4-(4-(2-methoxyphenyl)-piperazin-1-yl)-butyl)benzamide oxalic acid salt


name: 4-(2-Fluoroethoxy)-N-(4-(4-(2-(2-fluoroethoxy)phenyl)piperazin-1-yl)-trans-butyl-2-enyl)benzamide oxalic acid salt


name: 4-(Dimethylamino)-N-(4-(4-(2-(2-fluoroethoxy)phenyl)piperazin-1-yl)-trans-butyl-2-enyl)benzamide oxalic acid salt


name: 4-(2-(2-(2-Fluoroethoxy)ethoxy)ethoxy)-N-(4-(4-(2-(2-fluoroethoxy)phenyl)piperazin-1-yl)butyl)benzamide oxalic acid salt


name: 4-(2-(2-Fluoroethoxy)ethoxy)-N-(4-(4-(2-(2-fluoroethoxy)phenyl)piperazin-1-yl)butyl)benzamide oxalic acid salt


name: 4-(2-Fluoroethyl)-N-(4-(4-(2-(2-fluoroethoxy)phenyl)piperazin-1-yl)-butyl)benzamide oxalic acid salt


name: 2-(2-Fluoroethoxy)-5-iodo-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)-trans-butyl-2-enyl)benzamide oxalic acid salt


name: 5-Bromo-2-(2-fluoroethoxy)-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)-trans-butyl-2-enyl)benzamide oxalic acid salt


name: 2-(2-Fluoroethoxy)-5-methyl-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)-trans-butyl-2-enyl)benzamide oxalic acid salt


name: 4-(2-(2-Fluoroethoxy)ethoxy)-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)-trans-butyl-2-enyl)benzamide oxalic acid salt


name: 4-(2-Fluoroethoxy)-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)-transbutyl-2-enyl)benzamide oxalic acid salt


name: 4-(2-Fluoroethyl)-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)-transbutyl-2-enyl)benzamide oxalic acid salt


name: 4-(2-(2-Fluoroethoxy)ethoxy)-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzamide oxalic acid salt


name: MSHC_MYCTU L-cysteine:1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside ligase (sprot)

description: A probable cysteine--tRNA ligase, mitochondrial that is encoded in the genome of Mycobacterium tuberculosis H37Rv.


ochratoxin A(1-)

A monocarboxylic acid anion that is conjugate base of ochratoxin A, arising from the deprotonation of the carboxy group. Major microspecies at pH 7.3.


name: ACH10_HUMAN Neuronal acetylcholine receptor subunit alpha-10 (sprot)

description: A neuronal acetylcholine receptor subunit alpha-10 that is encoded in the genome of human.


name: 1,8-Di(1-quinoliniumyl)octane; with diiodide ions


name: SC5AB_HUMAN Sodium/myo-inositol cotransporter 2 (sprot)

description: A sodium/myo-inositol cotransporter 2 that is encoded in the genome of human.


name: SC5A2_RAT Sodium/glucose cotransporter 2 (sprot)

description: A sodium/glucose cotransporter 2 that is encoded in the genome of rat.


name: SC5A1_RAT Sodium/glucose cotransporter 1 (sprot)

description: A sodium/glucose cotransporter 1 that is encoded in the genome of rat.


isobutyrate

A branched, short-chain, saturated fatty acid anion; the conjugate base of isobutyric acid, formed by deprotonation of the carboxylic acid group.


isovalerate

A branched-chain saturated fatty acid anion that is the conjugate base of isovaleric acid; reported to improve ruminal fermentation and feed digestion in cattle.


A monocarboxylic acid anion that is the conjugate base of 2-methylvaleric acid, resulting from the deprotonation of the carboxy group. Major species at pH 7.3.


A monocarboxylic acid anion that is the conjugate base of 3-methylvaleric acid, resulting from the deprotonation of the carboxy group. Major species at pH 7.3.


isocaproate

A  branched-chain saturated fatty acid anion that is pentanoate with a methyl group substituent at position 4.


A fluorobenzoate that is the conjugate base of 4-fluorobenzoic acid.


A chlorobenzoate that is the conjugate base of 4-chlorobenzoic acid.


A bromobenzoate that is the conjugate base of 4-bromobenzoic acid; major microspecies at pH 7.3.


A iodobenzoate that is the conjugate base of 4-iodobenzoic acid; major microspecies at pH 7.3.


A member of the class of benzoates resulting from the deprotonation of the carboxy group of 4-nitrobenzoic acid.


The conjugate base of 4-hydroxybenzoic acid, comprising a 4-hydroxybenzoic acid core with a proton missing to give a charge of -1.


A  methoxybenzoate that is the conjugate base of 4-methoxybenzoic acid.


An  aromatic amino-acid anion that is the conjugate base of 4-aminobenzoic acid.


An amidobenzoate that is the conjugate base of 4-acetamidobenzoic acid, arising from deprotonation of the carboxy group; major species at pH 7.3.


METHYL 4-METHOXYBENZOATE

A benzoate ester obtained by the formal condensation of the carboxy group of 4-methoxybenzoic acid with methanol.


name: 3BHS_MYCTU 3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase (sprot)

description: A protein that is a translation product of the Rv1106c gene in Mycobacterium tuberculosis H37Rv.


floxuridine

A pyrimidine 2'-deoxyribonucleoside compound having 5-fluorouracil as the nucleobase; used to treat hepatic metastases of gastrointestinal adenocarcinomas and for palliation in malignant neoplasms of the liver and gastrointestinal tract.


name: MRGX1_HUMAN Mas-related G-protein coupled receptor member X1 (sprot)

description: A Mas-related G-protein coupled receptor X1 that is encoded in the genome of human.


betadex

A cyclodextrin composed of seven alpha-(1->4) linked D-glucopyranose units.


isoferulic acid

A ferulic acid consisting of trans-cinnamic acid bearing methoxy and hydroxy substituents at positions 4 and 3 respectively on the phenyl ring.


NAGILACTONE F

A diterpene lactone isolated from Podocarpus latifolius and has been shown to exhibit inhibitory activity against activator protein 1 (AP-1).


name: 5-(2-Guanidino-thiazol-4-yl)-2-methyl-1H-pyrrole-3-carboxylic acid ethyl ester


name: ANPRB_BOVIN Atrial natriuretic peptide receptor 2 (sprot)


name: 4,5alpha-Epoxy-3,6alpha, 14-trihydroxy-6beta-(2-carboxyallyl)-17-(cyclopropylmethyl) morphinnan gama-lactone


name: 4-(2-Amino-propyl)-2,5-dimethoxy-benzoic acid propyl ester


name: 4-{5-[(2-Phenyl-5-trifluoromethyloxazole-4-carbonyl)-amino]pyridin-2-yl}piperazine-1-carboxylic Acid Methyl Ester


name: 4-{5-[(2-Phenyl-5-trifluoromethyloxazole-4-carbonyl)-amino]pyridin-2-yl}piperazine-1-carboxylic Acid Ethyl Ester


name: 4-{5-[(2-Phenyl-5-trifluoromethyloxazole-4-carbonyl)amino]-pyrimidin-2-yl}piperazine-1-carboxylic Acid Methyl Ester


name: 4-{4-[(2-Phenyl-5-trifluoromethyloxazole-4-carbonyl)-amino]phenyl}piperazine-1-carboxylic Acid Methyl Ester


name: 4-{4-[(2-Phenyl-5-trifluoromethyloxazole-4-carbonyl)-amino]phenyl}piperidine-1-carboxylic Acid Methyl Ester


name: LMBL1_HUMAN Lethal(3)malignant brain tumor-like protein 1 (sprot)

description: A lethal(3)malignant brain tumor-like protein 1 that is encoded in the genome of human.


name: LMBL3_HUMAN Lethal(3)malignant brain tumor-like protein 3 (sprot)

description: A lethal(3)malignant brain tumor-like protein 3 that is encoded in the genome of human.


name: PHF13_HUMAN PHD finger protein 13 (sprot)

description: A PHD finger protein 13 that is encoded in the genome of human.


name: LMBL4_HUMAN Lethal(3)malignant brain tumor-like protein 4 (sprot)

description: A lethal(3)malignant brain tumor-like protein 4 that is encoded in the genome of human.


name: 2-Butyl-4-chloro-1-[4-(trifluoromethylsulfonylamino)benzyl]-1H-imidazole-5-acetic acid methyl ester


name: 1,4-Dihydro-2-methoxy-6-methyl-4-(3-nitrophenyl)-5-pyrimidinecarboxylic acid, ethyl ester


EDELFOSINE

A glycerophosphocholine that is glycero-3-phosphocholine substituted at positions 1 and 2 by octadecyl and methyl groups respectively.


name: 1-Propanaminium, N-(3-hydroxypropyl)-2-methoxy-N,N-dimethyl-3-(octadecylthio)-, iodide, (1)-


name: 3-Imidazol-1-yl-3-[4-(6-methoxy-naphthalen-2-ylamino)-phenyl]-2,2-dimethyl-propionic acid methyl ester


name: 3-[4-(6-Hydroxy-naphthalen-2-ylamino)-phenyl]-3-imidazol-1-yl-2,2-dimethyl-propionic acid methyl ester


name: 3-[4-(2-Ethoxy-naphthalen-1-ylamino)-phenyl]-3-imidazol-1-yl-2,2-dimethyl-propionic acid methyl ester


monomethyl fumarate

A dicarboxylic acid monoester resulting from the formal condensation of one of the carboxy groups of fumaric acid with methanol. Is is a metabolite of dimethyl fumarate and used for the the treatment of patients with relapsing multiple sclerosis (MS). It also induces the NFE2L2 (Nrf2) transcription factor by  binding to KEAP1.


name: G6PI_RABIT Glucose-6-phosphate isomerase (sprot)

description: A protein that is a translation product of the GPI gene in rabbit.


name: KDSD_FRATT Arabinose 5-phosphate isomerase KdsD (sprot)


name: Acetic acid (1R,3R)-2-acetoxy-1-hydroxycarbamoyl-3-phosphonooxy-propyl ester


name: (R)-Phosphoric acid mono-((R)-3-carbamoyl-2,3-dihydroxy-propyl) ester


A protein that is a translation product of the mraY gene in Staphylococcus aureus.


tetrabenazine

A 9,10-dimethoxy-3-isobutyl-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one in which both stereocentres have S configuration.


name: SC5A4_HUMAN Probable glucose sensor protein SLC5A4 (sprot)

description: A probable glucose sensor protein SLC5A4 that is encoded in the genome of human.


P2Y14_MOUSE P2Y purinoceptor 14 (sprot)

A P2Y purinoceptor 14 that is encoded in the genome of mouse.


The parent compound of the 2-aminopurines, comprising a purine core carrying an amino substituent at the 2-position.


DIMETHYLADENINE

A tertiary amine that is adenine substituted at N-6 by geminal methyl groups.


name: 4-[1-(4-Methanesulfonyl-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy]-piperidine-1-carboxylic acid ethyl ester


name: 4-[1-(4-Methanesulfonyl-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl]-piperidine-1-carboxylic acid tert-butyl ester


name: 4-[9-(4-Methanesulfonyl-phenyl)-9H-purin-6-yloxy]-piperidine-1-carboxylic acid tert-butyl ester


A potent cell-permeable and bivalent Smac mimetic which binds to XIAP, cIAP-1 and cIAP-2 proteins (Ki = 0.56 nM,  0.31 nM and 1.1 nM, respectively). It induces apoptosis and tumor regression in cancer xenograft models.


A nucleoside analogue that is adenine in which the nitrogen at position 9 has been substituted by a tetrahydrofuran-2-yl group. It is an adenylate cyclase inhibitor.


name: 7-Methyl-2-oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester; hydrochloride


name: 4-Methyl-2-oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester; hydrochloride


name: COX1_HUMAN Cytochrome c oxidase subunit 1 (sprot)

description: A cytochrome c oxidase subunit 1 that is encoded in the genome of human.


name: 2-Oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester


name: 3-Methyl-2-oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester; hydrochloride


name: 2-Oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid piperidin-4-yl ester; hydrochloride


name: 2-Oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid 9-methyl-9-aza-bicyclo[3.3.1]non-3-yl ester; hydrochloride


name: 6-Fluoro-2-oxo-2,3-dihydro-benzoimidazole-1-carboxylic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl ester; hydrochloride