THEASINENSIN A

A biflavonoid that is obtained by coupling of two molecules of (-)-epigallocatechin 3-gallate resulting in a bond between positions C-2 of the hydroxyphenyl ring. It is a natural product found in oolong tea.


A galloyl-beta-D-glucose compound having the galloyl groups in the 1-, 2- and 6-positions.


ETHYLGALLATE

A gallate ester obtained by the formal condensation of gallic acid with ethanol.


A gallate ester obtained by condensation of the carboxy group of gallic acid with the hydroxy group of octanol.


CORILAGIN

An ellagitannin with a hexahydroxydiphenoyl group bridging over the 3-O and 6-O of the glucose core.


name: NMT_YEAST Glycylpeptide N-tetradecanoyltransferase (sprot)

description: A protein that is a translation product of the NMT1 gene in yeast.


CATG_MOUSE Cathepsin G (sprot)

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


PRTN3_MOUSE Myeloblastin (sprot)

A myeloblastin that is encoded in the genome of mouse.


A 2-hydroxy carboxylate that is obtained by removal of a proton from the carboxylic acid group of 3-(4-hydroxyphenyl)lactic acid.


name: S22AK_MOUSE Solute carrier family 22 member 20 (sprot)

description: A protein that is a translation product of the Slc22a20 gene in mouse.


name: S22A6_MOUSE Solute carrier family 22 member 6 (sprot)

description: A solute carrier family 22 member 6 that is encoded in the genome of mouse.


A hydroxy monocarboxylic acid anion that is the conjugate base of 2-hydroxy-3-methylbutyric acid, formed by loss of a proton from the carboxy group.


A dicarboxylic acid dianion obtained by the deprotonation of both the carboxy groups of adipic acid.


A dicarboxylic acid dianion obtained by deprotonation of both the carboxy groups of glutaric acid.


A dicarboxylic acid dianion obtained by deprotonation of both carboxy groups of suberic acid; major species at pH 7.3.


p-aminohippurate

A hippurate that is the conjugate base of p-aminohippuric acid, arising from deprotonation of the carboxy group.


A 2-oxo monocarboxylic acid anion obtained by removal of a proton from the carboxylic acid group of 3-(4-hydroxyphenyl)pyruvic acid.


heptanoate

A medium-chain fatty acid anion that is the conjugate base of heptanoic acid; shown in myocardial ischaemia/reperfusion studies to increase levels of C4 Kreb's cycle intermediates.


keto-phenylpyruvate

A 2-oxo monocarboxylic acid anion resulting from deprotonation of the carboxy group of keto-phenylpyruvic acid.


A hydroxy fatty acid anion that is the conjugate base of 3-hydroxybutyric acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.


pyruvic acid

A 2-oxo monocarboxylic acid that is the 2-keto derivative of propionic acid. It is a metabolite obtained during glycolysis.


name: HST2_YEAST NAD-dependent protein deacetylase HST2 (sprot)

description: An NAD-dependent protein deacetylase sirtuin-2 that is encoded in the genome of yeast.


HINOKININ

A lignan that is dihydrofuran-2(3H)-one (gamma-butyrolactone) substituted by a 3,4-methylenedioxybenzyl group at positions 3 and 4 (the 3R,4R-diastereoisomer).


(-)-cubebin

A lignan that consists of tetrahydrofuran-2-ol substituted by two 1,3-benzodioxol-5-ylmethyl groups at positions 3 and 4 respectively (the 2S,3R,4R stereoisomer). It is isolated from the leaves of Piper nigrum and exhibits analgesic, anti-inflammatory, antimicrobial and trypanocidal activities.


DIHYDROCUBEBIN

A glycol that is butane-1,4-diol substituted at the 2- and 3-positions by (1,3-benzodioxol-5-yl)methyl groups (the R,R-configuration).


dihydroanhydropodorhizol

A member of the class of butan-4-olides carrying 3,4,5-trimethoxybenzyl and (1,3-benzodioxol-5-yl)methyl substituents at positions 3 and 4 respectively.


An aromatic ether that is 4-methoxyphenol in which one of the hydrogens ortho- to the methoxy group is replaced by a tert-butyl group.


name: DHAS_HELPY Aspartate-semialdehyde dehydrogenase (sprot)


S-sulfo-L-cysteine

An S-substituted L-cysteine where the S-substituent is specified as a sulfo group.


LONICERIN

A disaccharide derivative that is luteolin  substituted by a 2-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage.


MATAIRESINOL

A lignan that is gamma-butyrolactone in which the 3 and 4 positions are substituted by 4-hydroxy-3-methoxybenzyl groups (the 3R,4R-diastereomer).


name: GRIK4_RAT Glutamate receptor ionotropic, kainate 4 (sprot)

description: A glutamate receptor ionotropic, kainate 4 that is encoded in the genome of rat.


name: DPOL_HHV1K DNA polymerase catalytic subunit (sprot)


name: GDE_RABIT Glycogen debranching enzyme (sprot)

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


name: ENTP8_HUMAN Ectonucleoside triphosphate diphosphohydrolase 8 (sprot)

description: An ectonucleoside triphosphate diphosphohydrolase 8 that is encoded in the genome of human.


A member of the class of isochromanes that is 3,4-dihydroisocoumarin substituted by an acetoxy group at position 4, a methoxy group at position 6 and a pentyl group at position 3. Isolated from Xyris pterygoblephara, it exhibits activity against dermatophyte fungi.


ENDOSULFAN

A cyclic sulfite ester that is 1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepine 3-oxide substituted by chloro groups at positions 6, 7, 8, 9, 10 and 10.


dequalinium

A quinolinium ion comprising decane in which one methyl hydrogen at each end of the molecule has been replaced by a 4-amino-2-methylquinolin-1-yl group.


name: (3-Benzyloxycarbonylmethylsulfanyl-1,4-dioxo-1,4-dihydro-naphthalen-2-ylsulfanyl)-acetic acid benzyl ester


COLUBRINIC ACID

A steroid acid isolated from the roots of Breynia fruticosa.


ALPHITOLIC ACID

A pentacyclic triterpenoid that is  betulinic acid carrying an additional  alpha-hydroxy group at position 2. It has been isolated from Breynia fruticosa.


GLYOXYLATE

A 2-oxo monocarboxylic acid that is acetic acid bearing an oxo group at the alpha carbon atom.


A 2-oxo monocarboxylic acid anion that is the conjugate base of 2-oxobutanoic acid, obtained by deprotonation of the carboxy group.


name: DAPA_BACSU 4-hydroxy-tetrahydrodipicolinate synthase (sprot)

description: A 4-hydroxy-tetrahydrodipicolinate synthase that is encoded in the genome of Bacillus subtilis subsp. subtilis str. 168.


N-acetyllactosamine

A beta-D-galactopyranosyl-(1->4)-N-acetyl-D-glucosamine having beta-configuration at the reducing end anomeric centre.


name: ABHGA_HUMAN Phosphatidylserine lipase ABHD16A (sprot)

description: A phosphatidylserine lipase ABHD16A that is encoded in the genome of human.


GLPA_HUMAN Glycophorin-A (sprot)

A glycophorin-A that is encoded in the genome of human.


A benzoindole that is 1H-benzo[g]indole substituted by naphthalen-2-yl and 2-({(2R)-6-amino-1-[(2S)-2-aminopropoxy]-1-oxohexan-2-yl}amino)-2-oxoethyl groups at positions 2 and 3, respectively. It is a selective nonpeptidic agonist of the somatostatin subtype-5 (SST5) receptor with Ki of 0.4 nM.


SPATHODIC ACID

A pentacyclic triterpenoid that is olean-12-en-28-oic acid substituted by hydroxy groups at positions 3, 19 and 24 (the 3beta,19alpha stereoisomer). It has been isolated from the roots of Rubia yunnanensis.


thiopental

A barbiturate, the structure of which is that of 2-thiobarbituric acid substituted at C-5 by ethyl and sec-pentyl groups.


atracurium

A diester compound consisting of pentane-1,5-diol with both hydroxyls bearing 3-[1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolinium-2(1H)-yl]propanoyl groups.


name: PUR6_CHICK Multifunctional protein ADE2 (sprot)

description: A bifunctional phosphoribosylaminoimidazole carboxylase/phosphoribosylaminoimidazole succinocarboxamide synthetase that is encoded in the genome of chicken.


name: ABCC9_HUMAN ATP-binding cassette sub-family C member 9 (sprot)

description: An ATP-binding cassette sub-family C member 9 that is encoded in the genome of human.


A member of the class of biphenyls that is biphenyl in which one of the phenyl groups is substituted at positions 2and 4 by a methyl and a 5-methyl-1,3,4-oxadiazol-2-yl groups, respectively, while the other phenyl group is substituted at positions 2 and 5 by a methyl and an N-(cyclopropyl)aminocarbohyl group, respectively. An inhibitor of p38-alpha MAP kinase.


A biaryl resulting from the formal oxidative coupling of the 6 position of 3-(piperidin-4-yl)-1,2-benzoxazole with the 3 position of p-toluic acid and subsequent condensation of the carboxy group with the primary amino group of 3-(morpholin-4-yl)aniline to give the corresponding carboxamide. An inhibitor of p38-alpha MAP kinase.


TARAXEROL

A pentacyclic triterpenoid that is oleanan-3-ol lacking the methyl group at position 14, with an alpha-methyl substituent at position 13 and a double bond between positions 14 and 15.


name: Acetic acid 7-acetoxy-3-(3,4-diacetoxy-phenyl)-2-oxo-2H-chromen-6-yl ester


name: OPRM_MACMU Mu-type opioid receptor (sprot)

description: A protein that is a translation product of the OPRM1 gene in Macaca mulatta.


name: ACKR3_MOUSE Atypical chemokine receptor 3 (sprot)

description: An atypical chemokine receptor 3 that is encoded in the genome of mouse.


name: HPPD_ARATH 4-hydroxyphenylpyruvate dioxygenase (sprot)

description: A 4-hydroxyphenylpyruvate dioxygenase that is encoded in the genome of Arabidopsis thaliana.


TEMBOTRIONE

An aromatic ketone that is 2-benzoylcyclohexane-1,3-dione in which the phenyl group is substituted at positions 2, 3, and 4 by chlorine, (2,2,2-trifluoroethoxy)methyl, and methylsulfonyl groups, respectively. It is a post-emergence herbicide used (particularly in conjunction with the herbicide safener cyprosulfamide) for the control of a wide range of broad-leaved and grassy weeds in corn and other crops.


MESOTRIONE

An aromatic ketone that is cyclohexa-1,3-dione in which one of the hydrogens at position 2 is substituted by a 4-(methanesulfonyl)-2-nitrobenzoyl group.


A beta-diketone and nitrile resulting from the the degradation of the isoxazole ring of isoxaflutole. The active herbicide of the proherbicide isoxaflutole.


name: HPPD_DAUCA 4-hydroxyphenylpyruvate dioxygenase (sprot)


Trp-Leu

A dipeptide formed from L-tryptophan and L-leucine residues.


Trp-Arg

A dipeptide formed from L-tryptophan and L-arginine residues.


Trp-Asn

A dipeptide obtained by formal condensation of the carboxy group of L-tryptophan with the amino group of L-asparagine.


Trp-Asp

A dipeptide formed from L-tryptophan and L-aspartic acid residues.


name: 6-Methyl-4'-trifluoromethylbiphenyl-2-carboxylic acid [2-(2-pyridylmethylamino)-indan-5-yl] amide


name: (Z)-2-oxo-3-[Phenyl-(4-piperidin-1-ylmethyl-phenylamino)-methylene]-2,3-dihydro-1H-indole-6-carboxylic Acid Methyl Ester


name: (Z)-3-[(4-Dimethylaminomethyl-phenylamino)-phenyl-methylene]-2-oxo-2,3-dihydro-1H-indole-6-carboxylic Acid Methyl Ester


name: (Z)-2-oxo-3-[Phenyl-(4-piperidin-1-ylmethyl-phenylamino)-methylene]-2,3-dihydro-1H-indole-6-carboxylic Acid Ethyl Ester


name: (Z)-2-oxo-3-(Phenyl-phenylamino-methylene)-2,3-dihydro-1Hindole-6-carboxylic Acid Methyl Ester


A phorbol ester that is phorbol in which the hydroxy groups at the cyclopropane ring juction (position 13) and the adjacent carbon (position 12) have been converted to the corresponding decanoate esters. A Trpv4-specific ligand.


BENZOPHENONE

The simplest member of the class of benzophenones, being formaldehyde in which both hydrogens are replaced by phenyl groups.


PHYSALIN F

A physalin with antimalarial and antitumour activities isolated from Physalis angulata.


A member of the class of phenylureas obtained by formal condensation of the carboxy group of (3-{5-[4-(aminomethyl)phenyl]pyrrolo[2,3-b]pyridin-3-yl}phenyl)carbamic acid with the amino group of 2-phenoxyaniline. An inhibitor of tyrosine kinase.


name: DOCK2_HUMAN Dedicator of cytokinesis protein 2 (sprot)

description: A dedicator of cytokinesis protein 2 that is encoded in the genome of human.


name: ERO1A_MOUSE ERO1-like protein alpha (sprot)

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


name: GLP1R_MOUSE Glucagon-like peptide 1 receptor (sprot)

description: A glucagon-like peptide 1 receptor that is encoded in the genome of mouse.


(-)-marinopyrrole A

A member of the class of pyrroles that is 1'H-1,3'-bipyrrole substituted by four chloro groups at positions 4, 4', 5 and 5' and two 2-hydroxybenzoyl moieties at positions 2 and 2'. It is isolated from Streptomyces sp.CNQ-418 and exhibits cytotoxic and antibacterial activities.


HISPAGLABRIDIN A

A member of the class of  hydroxyisoflavans that is (R)-isoflavan substituted by hydroxy groups at positions 2' and 4' , a  3-methylbut-2-en-1-yl group at position 3' and a 2,2-dimethyl-2H-pyran group across positions 7 and 8 respectively.


acrovestone

A polyphenol that is isolated from Acronychia pedunculata and exhibits moderate antioxidant and antityrosinase activities.


A member of the class of hydroxyindoles that is 1H-indole substituted by hydroxy, 5-(morpholin-4-ylmethyl)pyridin-2-yl, and cyano groups at positions 2, 3 and 5, respectively. It is a potent, brain permeable inhibitor of human GSK3alpha and GSK3beta with Ki of 6.9 nM and 31 nM, respectively. The drug was being developed by AstraZeneca for the treatment of Alzheimer's disease (clinical trial now discontinued).


BPDZ 711

A member of the class of chromanes that acts as an inhibitor of histone deacetylase class III and exhibits anti-cancer properties.


name: STK39_RAT STE20/SPS1-related proline-alanine-rich protein kinase (sprot)

description: A STE20/SPS1-related proline-alanine-rich protein kinase that is encoded in the genome of rat.


A member of the class of aminoacridines that is acridin-9-amine substituted by [(furan-2-yl)methyl]amino and ethoxy groups at positions 3 and 7, respectively. It is a lysine deficient protein kinase (WNK) signaling inhibitor (IC50 = 16 muM).


name: 4-Hydroxy-7-phenyl-4-(nonafluorobutyl)-1,4-dihydropyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid ethyl ester


name: 4-Hydroxy-7-phenyl-4-(perfluorobutyl)-1,4-dihydropyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid methyl ester


name: 7-Hydroxy-7-(perfluorobutyl)-4,7-dihydrotetrazolo[5,1-c][1,2,4]triazine-6-carboxylic acid ethyl ester


name: SSR5_MOUSE Somatostatin receptor type 5 (sprot)

description: A somatostatin receptor type 5 that is encoded in the genome of mouse.


euxanthone

A member of the class of xanthones that is 9H-xanthene substituted by hydroxy group at positions 1 and 7 and an oxo group at position 9. It has been isolated from Cratoxylum cochinchinense.


MYOC_HUMAN Myocilin (sprot)

A myocilin that is encoded in the genome of human.


name: NMDE2_MOUSE Glutamate receptor ionotropic, NMDA 2B (sprot)

description: A glutamate receptor ionotropic, NMDA 2B that is encoded in the genome of mouse.


name: [5-(2,4-Dioxopyrimidin-1-yl)pentoxy-hydroxyphosphoryl] phosphono hydrogen phosphate


name: [4-(2,4-Dioxopyrimidin-1-yl)butoxy-hydroxyphosphoryl] phosphono hydrogen phosphate


name: [3-[(2,4-Dioxopyrimidin-1-yl)methoxy]propoxy-hydroxyphosphoryl] phosphono hydrogen phosphate


name: Triphosphoric acid, P-(2-((3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methoxy)ethyl) ester


name: 3beta-(3-Bromo-4-methylsulfinylphenyl)tropane-2beta-carboxylic acid methyl ester


name: 3beta-(4-Methylsulfinylphenyl)tropane-2beta-carboxylic acid methyl ester


name: 3beta-(4-Methylthiophenyl)nortropane-2beta-carboxylic acid methyl ester


name: 3beta-(4-Ethylthiophenyl)nortropane-2beta-carboxylic acid methyl ester


name: 3beta-(4-Methylthiophenyl)-8-allylnortropane-2beta-carboxylic acid methyl ester


name: 3beta-(4-Ethylthiophenyl)-8-allylnortropane-2beta-carboxylic acid methyl ester


name: 3beta-(4-Methylthiophenyl)-8-propylnortropane-2beta-carboxylic acid methyl ester


name: 3beta-(4-Ethylthiophenyl)-8-propylnortropane-2beta-carboxylic acid methyl ester


name: 3beta-(4-Methoxyphenyl)tropane-2beta-carboxylic acid methyl ester


name: 3beta-(4-Methylsulfonylphenyl)tropane-2beta-carboxylic acid methyl ester


name: {4-(1-Benzyl-1H-indazol-5-ylamino)-5-ethyl-pyrrolo[2,1-f][1,2,4]triazin-6-yl}-carbamic acid piperidin-4-ylmethyl ester


name: {4-(1-Benzyl-1H-indazol-5-ylamino)-5-ethyl-pyrrolo[2,1-f][1,2,4]triazin-6-yl}-carbamic acid piperidin-3-ylmethyl ester


name: {4-(1-Benzyl-1H-indazol-5-ylamino)-5-ethyl-pyrrolo[2,1-f][1,2,4]triazin-6-yl}-carbamic acid piperidin-2-ylmethyl ester


name: PBPX_STRPN Penicillin-binding protein 2x (sprot)

description: A peptidoglycan D,D-transpeptidase FtsI that is encoded in the genome of Streptococcus pneumoniae TIGR4.


name: PBPX_STRR6 Penicillin-binding protein 2X (sprot)

description: A peptidoglycan D,D-transpeptidase FtsI that is encoded in the genome of Streptococcus pneumoniae R6.


name: NPCL1_MOUSE NPC1-like intracellular cholesterol transporter 1 (sprot)

description: An NPC1-like intracellular cholesterol transporter 1 that is encoded in the genome of mouse.


GYRB_STRPN DNA gyrase subunit B (sprot)

A DNA gyrase subunit B that is encoded in the genome of Streptococcus pneumoniae TIGR4.


CASP4_MOUSE Caspase-4 (sprot)

A caspase-4 that is encoded in the genome of mouse.


CASPE_HUMAN Caspase-14 (sprot)

A caspase-14 that is encoded in the genome of human.


CATZ_HUMAN Cathepsin Z (sprot)

A cathepsin Z that is encoded in the genome of human.


KLK8_HUMAN Kallikrein-8 (sprot)

A kallikrein-8 that is encoded in the genome of human.


name: HES1_MOUSE Transcription factor HES-1 (sprot)

description: A transcription factor HES-1 that is encoded in the genome of mouse.


LYCOGALIC ACID A

A pyrroledicarboxylic acid that is pyrrole-2,5-dicarboxylic acid in which the hydrogens at positions 3 and 4 have been replaced by indol-3-yl groups.


(3S)-3-hydroxy-D-aspartic acid

A 3-hydroxy-D-aspartic acid in which the carbon bearing the hydroxy substituent has S configuration.


glycine hydroxamate

A hydroxamic acid obtained by formal condensation of the carboxy group of glycine with the amino group of hydroxylamine.


beta-L-aspartylhydroxamic acid

A non-proteinogenic L-alpha-amino acid that is L-asparagine hydroxylated at N-4.


ALBAFURAN A

A member of the class of 1-benzofurans that is 1-benzofuran substituted by a hydroxy group at position 6 and a 2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3,5-dihydroxyphenyl group at position 2.


ACUMINATIN

A neolignan that is 5-[(1E)-prop-1-en-1-yl]-2,3-dihydro-1-benzofuran carrying additional 3,4-dimethoxyphenyl, methyl and methoxy substituents at positions 2, 3 and 7 respectively.


name: Diphosphoric Acid 1-beta-Methyl Ester 2-(2-Thiouridine-5''-yl)-ester, di ammonium Salt


name: Diphosphoric Acid 1-beta-Ethyl Ester 2-(2-Thiouridine-5''-yl)-ester,di ammonium Salt


name: Diphosphoric Acid 1-beta-Propyl Ester 2-(2-Thiouridine-5''-yl)-ester, di ammonium Salt


name: Diphosphoric Acid 1-beta-(2-Cyanoethyl)Ester 2-(Uridine-5''-yl)ester, di ammonium Salt


name: Diphosphoric Acid 1-beta-(3-Butynyl)Ester 2-(Uridine-5''-yl)-ester, bis-Triethylammonium Salt


name: Diphosphoric Acid 1-beta-(3-Butynyl)Ester 2-(2-Thiouridine-5''-yl)ester, bis-Triethylammonium Salt


name: Diphosphoric Acid 1-r-Glycerol Ester 2-(Uridine-5''-yl)ester,di ammonium Salt


name: Diphosphoric Acid 1-beta-Glycerol Ester 2-(Uridine-5''-yl)ester,bis-Triethylammonium Salt


name: Diphosphoric Acid 1-beta-tert-Butyl Ester 2-(Uridine-5''-yl)ester,di ammonium Salt


name: Diphosphoric Acid 1-beta-tert-Butyl Ester 2-(2-Thiouridine-5''-yl)ester, di Ammonium Salt


name: Diphosphoric Acid 1-beta-Cyclohexyl Ester 2-(Uridine-5''-yl)ester,di ammonium Salt


name: Diphosphoric Acid 1-beta-(4-Nitrophenyl)Ester 2-(Uridine-5''-yl)ester,di ammonium Salt


name: Diphosphoric Acid 1-beta-(3-Chlorophenyl)Ester 2-(Uridine-5''-yl)ester, di ammonium Salt


name: Diphosphoric Acid 1-beta-(4-Methoxyphenyl)Ester 2-(Uridine-5''-yl)ester,di ammonium Salt


name: Diphosphoric Acid 1-beta-Methyl Ester 2-(4-Thiouridine-5''-yl)-ester,bis-TriethylammoniumSalt


ETHOXYCOUMARIN

A member of the class of coumarins that is umbelliferone in which the hydroxy group at position 7 is replaced by an ethoxy group.


A member of the class of pteridines that is pteridine in which the hydrogens at positions 2 and 4 are replaced by amino groups, whilst those at positions 6 and 7 are replaced by isopropyl groups.


LACB_BOVIN Beta-lactoglobulin (sprot)

A glycodelin that is encoded in the genome of cow.


retinol

Any member of a group of fat-soluble retinoids produced via metabolism of provitamin A carotenoids that exhibit biological activity against vitamin A deficiency. Vitamin A is involved in immune function, vision, reproduction, and cellular communication.


p-aminodiphenylamine

An aromatic amine that is the 4-amino derivative of diphenylamine.


NICOTIFLOROSIDE

A kaempferol O-glucoside that is  kaempferol attached to a rutinosyl [6-deoxy-alpha-L-mannosyl-(1->6)-beta-D-glucosyl] residue at position 3 via a glycosidic linkage. It has been isolated from the leaves of Solanum campaniforme.


HERBACETIN

A pentahydroxyflavone that is kaempferol substituted by a hydroxy group at position 8. It is a natural flavonoid from flaxseed which exerts antioxidant, anti-inflammatory and anticancer activities.


name: 4-(4-ethylphenoxy)-butyric acid 6-oxo-6H-benzo[c]chromen-3-yl ester


b-D-GALACTOSE

A D-galactopyranose having beta configuration at the anomeric centre.


name: UBP47_HUMAN Ubiquitin carboxyl-terminal hydrolase 47 (sprot)

description: A ubiquitin carboxyl-terminal hydrolase 47 that is encoded in the genome of human.


name: UBP8_HUMAN Ubiquitin carboxyl-terminal hydrolase 8 (sprot)

description: A ubiquitin carboxyl-terminal hydrolase 8 that is encoded in the genome of human.


name: [[5-(5-Ethyl-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate


ARISTOLOCHIC ACID C

An aristolochic acid that is phenanthrene-1-carboxylic acid substituted by a methylenedioxy group at the 3,4 positions, by an hydroxy group at position 6, and by a nitro group at position 10.


ARISTOLOCHIC D

An aristolochic acid that is phenanthrene-1-carboxylic acid substituted by a methylenedioxy group at the 3,4 positions, by an hydroxy group at position 6, by a methoxy group at position 8, and by a nitro group at position 10.


A 1,2-diacyl-sn-glycerol in which the acyl groups at positions 1 and 2 are specified as oleoyl.


name: 4-(2-Carbamimidoyl-benzo[b]thiophen-6-yloxymethyl)-benzoic acid methyl ester


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


name: (2-Carbamimidoyl-benzo[b]thiophen-6-yloxy)-acetic acid ethyl ester


name: 3-(2-Carbamimidoylbenzo[b]thiophen-6-yloxy)-3-(4-chlorophenyl)propionic Acid Methyl Ester


name: 4-(2-Carbamimidoylbenzo[b]thiophen-6-yloxy)-4-(4-chlorophenyl)butyric Acid Methyl Ester


name: (2-Carbamimidoylbenzo[b]thiophen-6-yloxy)thiophen-2-ylacetic Acid Ethyl Ester


name: 4-Biphenyl-3-yl-2-(2-carboxy-benzoylamino)-thiophene-3-carboxylic acid isopropyl ester


name: 4-Biphenyl-4-yl-2-(2-carboxy-benzoylamino)-thiophene-3-carboxylic acid isopropyl ester


name: TYPH_RAT Thymidine phosphorylase (sprot)

description: A thymidine phosphorylase that is encoded in the genome of rat.


VDR_PIG Vitamin D3 receptor (sprot)

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


4-sulfanylbutanoic acid

A monocarboxylic acid that is butyric acid in which one of the hydrogens at position 4 has been replaced by a thiol group.


name: DAPE_HAEIN Succinyl-diaminopimelate desuccinylase (sprot)


L-penicillamine

The L-enantiomer of penicillamine.


A 17-oxo steroid that is estrone in which the hydrogen at position 2 has been replaced by a methoxy group.


name: M3K12_MOUSE Mitogen-activated protein kinase kinase kinase 12 (sprot)

description: A mitogen-activated protein kinase kinase kinase 12 that is encoded in the genome of mouse.


glycyrrhizin

A  triterpenoid saponin that is the  glucosiduronide derivative of 3beta-hydroxy-11-oxoolean-12-en-30-oic acid.


name: HMGB1_HUMAN High mobility group protein B1 (sprot)

description: A high mobility group protein B1 that is encoded in the genome of human.


NSC 56820

An amino sulfonic acid that is 4-[(4-methylenecyclohexa-2,5-dien-1-ylidene)amino]benzenesulfonic acid in which the hydrogens of the methylene group are replaced by 4-amino-3-methyl-5-sulfophenyl and 4-[(4-sulfophenyl)amino]phenyl groups. The disodium salt is the biological stain C.I. Acid Blue 22, also known as water blue.


name: 2, 4,4'-[(3-Sulfo-4,4'-biphenylylene)bis(azo)]bis[3-amino-, pentasodium salt


promegestone

A progestin consisting of 17beta-propionylestra-4,9-dien-3-one substituted at position 17 by a methyl group.


glucose

D-Glucopyranose with beta configuration at the anomeric centre.


TOP1_RAT DNA topoisomerase 1 (sprot)

A type 1B DNA topoisomerase 1 that is encoded in the genome of rat.


name: 2-AMINO-3-(4-HYDROXY-1,2,5-OXADIAZOL-3-YL)PROPIONIC ACID (STRUCTURAL MIX)


name: 2-AMINO-4-(4-HYDROXY-1,2,5-OXADIAZOL-3-YL)BUTANOIC ACID (STRUCTURAL MIX)


name: 2-AMINO-5-(4-HYDROXY-1,2,5-OXADIAZOL-3-YL)PENTANOIC ACID (STRUCTURAL MIX)


benzyl bromide

A member of the class of benzyl bromides that is toluene substituted on the alpha-carbon with bromine.


bromoacetone

An alpha-bromoketone that is acetone in which one of the hydrogens is replaced by a bromine atom. A poweful lachrymator, it was formerly used as a chemical weapon.


CAMPHOR

The (R)- enantiomer of camphor.


name: Ethanethioic acid, S-[2,2,2-trichloro-1-[(4-chlorobenzoyl)amino]ethyl] ester


cannabidiolic acid

A dihydroxybenzoic acid that is olivetolic acid in which the hydrogen at position 3 is substituted by a 3-p-mentha-1,8-dien-3-yl (limonene) group.


TOLUENE DIISOCYANATE

A toluene meta-diisocyanate in which the isocyanato groups are at positions 2 and 4 relative to the methyl group on the benzene ring.


crotylaldehyde

An enal consisting of propene having a formyl group at the 1-position.


15-deoxy-Δ-12,14-prostaglandin J2

A prostaglandin J derivative comprising prostaglandin J2 lacking the 15-hydroxy group and having C=C double bonds at the 12- and 14-positions.


The enal that is (E)-non-2-enal substituted with an oxo group at C-4.


name: And 5-bromo-3-oxa-4,11-diazatricyclo[6.2.1.0''2,6]undec-4-ene fumaric acid


name: HMDH_SCHPO 3-hydroxy-3-methylglutaryl-coenzyme A reductase (sprot)

description: A 3-hydroxy-3-methylglutaryl-coenzyme A reductase that is encoded in the genome of Schizosaccharomyces pombe 972h-.


name: GlaxoSmithKline compound 5h [PMID:20542694]


IL5_HUMAN Interleukin-5 (sprot)

An interleukin-5 that is encoded in the genome of human.


name: DVL2_HUMAN Segment polarity protein dishevelled homolog DVL-2 (sprot)

description: A segment polarity protein dishevelled homolog DVL-2 that is encoded in the genome of human.


name: Carbamimidothioic acid, (3-chlorophenyl)methyl ester


BENZENEMETHANETHIOL

A thiol that is toluene in which one of the methyl hydrogens has been replaced by a sulfanyl group.


LICOCOUMARONE

A member of the class of 1-benzofurans which consists of 1-benzofuran substituted by a hydroxy group at position 6, a methoxy group at position 4, a prenyl group at position 5 and a 2,4-dihydroxyphenyl group at position 2. It has been isolated from Glycyrrhiza uralensis.


GLYCYCOUMARIN

A member of the class of  coumarins that is coumarin substituted by a hydroxy group at position 7, a methoxy group at position 5, a prenyl group at position 6 and a 2,4-dihydroxyphenyl group at position 3.  Isolated from Glycyrrhiza uralensis, it exhibits antispasmodic activity.


name: HINT1_RAT Adenosine 5'-monophosphoramidase HINT1 (sprot)

description: An adenosine 5'-monophosphoramidase HINT1 that is encoded in the genome of rat.


A member of the class of 1,3-thiazole bearing 2-cyclopentylidenehydrazino and 4-chlorophenyl substituents at positions 2 and 4 respectively.


An ammonium ion that is the conjugate acid of (S)-reticuline, arising from protonation of the tertiary amino group; major species at pH 7.3.


edoxaban

A monocarboxylic acid amide that is used (as its tosylate monohydrate) for the treatment of deep vein thrombosis and pulmonary embolism.


name: RAP1A_HUMAN Ras-related protein Rap-1A (sprot)

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


ZHANKUIC ACID A METHYL ESTER

An  ergostanoid that is the methyl ester of zhankuic acid A. It has been isolated from the fruiting bodies of  Taiwanofungus camphoratus.


ZHANKUIC ACID A

A steroid acid that is ergosta-8,24(28)-dien-26-oic acid substituted by a methyl group at position 4 and oxo groups at positions 3, 7 and 11 (the 4alpha,5alpha stereoisomer). Isolated from  Antrodia cinnamomea and Antrodia camphorata, it exhibits cytotoxic and anti-inflammatory activity.


ERGOSTEROL PEROXIDE

An ergostanoid that is ergosta-6,22-dien-3-ol with a peroxy group between positions 5 and 8 (the 3beta,5alpha,8alpha,22E stereoisomer). Isolated from Ganoderma lucidum and Cordyceps sinensis, it exhibits antimycobacterial, trypanocidal and antineoplastic activities.


ZHANKUIC ACID B

A steroid acid that is ergosta-8,24(28)-dien-26-oic acid substituted by a hydroxy group at position 3, a methyl group at position 4 and oxo groups at positions 7 and 11 (the 3alpha,4alpha,5alpha stereoisomer). Isolated from Antrodia cinnamomea and Antrodia camphorata, it exhibits cytotoxic, anticholinergic and antiserotonergic activities.


ERGOSTEROL

A phytosterol consisting of ergostane having double bonds at the 5,6-, 7,8- and 22,23-positions as well as a 3beta-hydroxy group.


A member of the class of benzophenones that is phenol substituted by a 4-fluorobenzoyl group at position 4.


name: TY3H_RAT Tyrosine 3-monooxygenase (sprot)

description: A tyrosine 3-monooxygenase that is encoded in the genome of rat.


name: KCNN1_RAT Small conductance calcium-activated potassium channel protein 1 (sprot)

description: A small conductance calcium-activated potassium channel protein 1 that is encoded in the genome of rat.


name: KKCC2_MOUSE Calcium/calmodulin-dependent protein kinase kinase 2 (sprot)

description: A calcium/calmodulin-dependent protein kinase kinase 2 that is encoded in the genome of mouse.


(+)-(S)-dihydro-ar-turmerone

A  sesquiterpenoid that is 2-methylheptan-4-one substituted by a 4-methylphenyl group at position 6. It has been isolated from  Peltophorum dasyrachis.


EUTYPOID B

A  butenolide that is furan-2(5H)-one substituted by a 4-hydroxybenzyl group at position 4 and a 4-hydroxyphenyl group at position 3. It has been isolated from Penicillium species.


EUTYPOID C

A butenolide that is furan-2(5H)-one substituted by a 3,4-dihydroxybenzyl group at position 4 and a 4-hydroxyphenyl group at position 3. It has been isolated from Penicillium species.


EUTYPOID D

A butenolide that is furan-2(5H)-one substituted by a 3,5-dihydroxyphenyl group at position 3 and a 4-hydroxybenzyl group at position 4. It has been isolated from Penicillium species.


EUTYPOID E

A butenolide that is furan-2(5H)-one substituted by a 3,5-dihydroxyphenyl group at position 3 and a 3,4-dihydroxybenzyl group at position 4. It has been isolated from Penicillium species.


A  lignan that consists of a tetrahudrofuran substituted by a 4-hydroxy-3-methoxyphenyl group at position 5, a hydroxymethyl group at position 4 and a hydroxy(4-hydroxy-3-methoxyphenyl)methyl group at position 3. It has been isolated from Taxus yunnanensis.


TAXIRESINOL

A lignan that consists of tetrahydrofuran substituted by a 3,4-dihydroxyphenyl group at position 2, a hydroxymethyl group at position 3 and a 4-hydroxy-3-methoxybenzyl group at position 4. It has been isolated from Taxus yunnanensis.


(+)-SECOISOLARICIRESINOL

An enantiomer of secoisolariciresinol having (-)-(2R,3R)-configuration.


LARICIRESINOL

A lignan that is tetrahydrofuran substituted at positions 2, 3 and 4 by 4-hydroxy-3-methoxyphenyl, hydroxymethyl and 4-hydroxy-3-methoxybenzyl groups respectively (the 2S,3R,4R-diastereomer).


A  neolignan that consists of a 2,3-dihydro-1,4-benzodioxine ring substituted by a hydroxymethyl group at position 3, a 3-hydroxypropyl group at position 7 and a 4-hydroxy-3-methoxyphenyl group at position 2. It has been isolated from Taxus yunnanensis.


ISOLARICIRESINOL

A lignan that is  5,6,7,8-tetrahydronaphthalen-2-ol substituted by hydroxymethyl groups at positions 6 and 7, a methoxy group at position 3 and a 4-hydroxy-3-methoxyphenyl group at position 8. It has been isolated from the roots of Rubia yunnanensis.


name: 4-[4-(2,4-Dioxothiazolidin-5-ylmethyl)-2-methoxyphenoxy]-2-trifluoromethylbenzoic Acid Methyl Ester


name: AOF_DANRE Amine oxidase [flavin-containing] (sprot)

description: An amine oxidase [flavin-containing] B that is encoded in the genome of zebrafish.


A carboxylic acid anion obtained by the removal of proton from the carboxy group of  4-phenylbutyric acid.


A dipeptide formed from L-arginine and L-phenylalaninamide residues in which a hydrogen attached to the nitrogen of the alpha-amino group of the arginine residue has been replaced by a 1-adamantanecarbonyl group. It has been reported to be a potent and selective antagonist of neuropeptide FF (NPFF) receptors, but more recently found to be an agonist at both NPFF1R and the kisspeptin receptor (KISS1R).


name: PDR5_YEAST Pleiotropic ABC efflux transporter of multiple drugs (sprot)

description: A protein that is a translation product of the PDR5 gene in yeast.


name: MA1A1_DROME Mannosyl-oligosaccharide alpha-1,2-mannosidase IA (sprot)

description: A protein that is a translation product of the alpha-Man-Ia gene in fruit fly.


name: S22A6_RAT Solute carrier family 22 member 6 (sprot)

description: A solute carrier family 22 member 6 that is encoded in the genome of rat.


SALICYLURIC ACID

An N-acylglycine in which the acyl group is specified as 2-hydroxybenzoyl.


β-L-hydroxybutyric acid

The S-enantiomer of 3-hydroxybutyric acid; a normal human metabolite, that has been found elevated in geriatric patients remitting from depression.


N-ACETYLASPARTIC ACID

An N-acyl-L-aspartic acid in which the acyl group is specified as acetyl.


3-hydroxyglutaric acid

A 3 hydroxy carboxylic acid that is glutaric acid which is substituted by a hydroxy group at position 3. It is a diagnostic marker for glutaric aciduria type I.


chlorpropamide

An N-sulfonylurea that is urea in which a hydrogen attached to one of the nitrogens is substituted by 4-chlorobenzenesulfonyl group and a hydrogen attached to the other nitrogen is substituted by propyl group. Chlorpropamide is a hypoglycaemic agent used in the treatment of type 2 (non-insulin-dependent) diabetes mellitus not responding to dietary modification.


name: BLA2_BACCE Metallo-beta-lactamase type 2 (sprot)


3''-deoxy-6'-O-desmethylcandidusin B

A member of the class of dibenzofurans that is dibenzo[b,d]furan substituted by a 4-hydroxyphenyl group at position 3, hydroxy groups at positions 1, 7 and 8 and a methoxy group at position 4. It has been isolated from the culture of the mangrove endophytic fungus Penicillium chermesinum.


TOPOPYRONE C

A naphthochromene that is 4H-naphtho[2,3-h]chromene-4,7,12-trione substituted by hydroxy groups at positions 5, 9 and 11 and a methyl group at position 2. It is isolated from fungal strains Phoma and Penicillium and acts as an inhibitor of the enzyme topoisomerase I.


(E)-3-(indol-3-yl)acrylic acid

An alpha,beta-unsaturated monocarboxylic acid that is acrylic acid in which one of the hydrogens at position 3 is replaced by an indol-3-yl group.


name: Thiocyanic acid, 2-(1H-indol-3-yl)ethyl ester


name: S15A2_HUMAN Solute carrier family 15 member 2 (sprot)

description: A solute carrier family 15 member 2 that is encoded in the genome of human.


Ala-Ala-Asp

A tripeptide composed of two L-alanyl and an L-aspartic acid residue joined in sequence.


amoxicillin

A penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-(4-hydroxyphenyl)acetamido group.


The anion of cephapirin obtained by removal of a proton form the carboxylic acid group.


cefepime

A cephalosporin bearing (1-methylpyrrolidinium-1-yl)methyl and (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido groups at positions 3 and 7, respectively, of the cephem skeleton.


cefpodoxime

A third-generation cephalosporin antibiotic with methoxymethyl and (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamino substituents at positions 3 and 7, respectively, of the cephem skeleton. Given by mouth as its proxetil ester prodrug, it is used to treat acute otitis media, pharyngitis, and sinusitis.


Gly-His-Lys

A tripeptide composed of glycine, L-histidine and L-lysine residues joined in sequence.


Met-Met

A dipeptide formed from two L-methionine residues.


name: CATC_BOVIN Dipeptidyl peptidase 1 (sprot)

description: A dipeptidyl peptidase 1 that is encoded in the genome of cow.


NITROBENZENE

A nitroarene consisting of benzene carrying a single nitro substituent. An industrial chemical used widely in the production of aniline.


name: DPOLM_HUMAN DNA-directed DNA/RNA polymerase mu (sprot)

description: A DNA-directed DNA/RNA polymerase mu that is encoded in the genome of human.


name: TDT_BOVIN DNA nucleotidylexotransferase (sprot)

description: A DNA nucleotidylexotransferase that is encoded in the genome of cow.


name: ETV1_HUMAN ETS translocation variant 1 (sprot)

description: An ETS translocation variant 1 that is encoded in the genome of human.


isorhamnetin 3-O-beta-D-glucopyranoside

A glycosyloxyflavone that is isorhamnetin substituted at position 3 by a beta-D-glucosyl residue.


DPOLN_HUMAN DNA polymerase nu (sprot)

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


VE6_HPV16 Protein E6 (sprot)

A protein that is a translation product of the E6 gene in Human papillomavirus type 16.


PINORESINOL

An enantiomer of pinoresinol having (+)-(1R,3aR,4S,6aR)-configuration.


SINAPINATE

A sinapic acid in which the double bond has trans-configuration.


name: DXR_MYCS2 1-deoxy-D-xylulose 5-phosphate reductoisomerase (sprot)


ITA4_MOUSE Integrin alpha-4 (sprot)

An integrin alpha-4 that is encoded in the genome of mouse.


ISOFLAVANONE

Isoflavone in which the double bond between positions 2 and 3 has been reduced to a single bond.


NYMPHAEOL A

A tetrahydroxyflavanone that is (2S)-flavanone substituted by hydroxy group at positions 5, 7, 3' and 4' and a geranyl group at position 6. Isolated from Macaranga tanarius and propolis collected in Okinawa, it exhibits radical scavenging activity.


AXIN2_HUMAN Axin-2 (sprot)

An Axin-2 that is encoded in the genome of human.


name: V1AR_MICOH Vasopressin V1a receptor (sprot)


name: 9Z-Octadecenoic acid, (2S)-3-[(hydroxymercaptophosphinyl)oxy]-2-methoxypropyl ester


name: FABP4_RAT Fatty acid-binding protein, adipocyte (sprot)

description: A fatty acid-binding protein, adipocyte that is encoded in the genome of rat.


name: HAOX2_RAT 2-Hydroxyacid oxidase 2 (sprot)

description: A 2-hydroxyacid oxidase 2 that is encoded in the genome of rat.


dimethyldithiocarbamate

A member of the class of dithiocarbamate anions resulting from the removal of the proton from the dithiocarbamic acid moiety of dimethyldithiocarbamic acid. The major species at pH 7.3.


name: ACPH_PIG Acylamino-acid-releasing enzyme (sprot)

description: A protein that is a translation product of the APEH gene in pig.


name: RL3R1_HUMAN Relaxin-3 receptor 1 (sprot)

description: A relaxin-3 receptor 1 that is encoded in the genome of human.


name: KIF5A_HUMAN Kinesin heavy chain isoform 5A (sprot)

description: A kinesin heavy chain isoform 5A that is encoded in the genome of human.


name: KIF5C_HUMAN Kinesin heavy chain isoform 5C (sprot)

description: A kinesin heavy chain isoform 5C that is encoded in the genome of human.


name: MCHR1_MACMU Melanin-concentrating hormone receptor 1 (sprot)


A member of the class of  hydroxyfluorenes that is 9H-fluorene substituted by a hydroxy group at position 9 (the non-aromatic carbon).


name: AOC3_MOUSE Amine oxidase [copper-containing] 3 (sprot)

description: A membrane primary amine oxidase that is encoded in the genome of mouse.


name: FGR_MOUSE Tyrosine-protein kinase Fgr (sprot)

description: A tyrosine-protein kinase Fgr that is encoded in the genome of mouse.


name: TIE1_MOUSE Tyrosine-protein kinase receptor Tie-1 (sprot)

description: A tyrosine-protein kinase receptor Tie-1 that is encoded in the genome of mouse.


name: RET_MOUSE Proto-oncogene tyrosine-protein kinase receptor Ret (sprot)

description: A proto-oncogene tyrosine-protein kinase receptor Ret that is encoded in the genome of mouse.


name: LYN_MOUSE Tyrosine-protein kinase Lyn (sprot)

description: A tyrosine-protein kinase Lyn that is encoded in the genome of mouse.


name: MK09_MOUSE Mitogen-activated protein kinase 9 (sprot)

description: A mitogen-activated protein kinase 9 that is encoded in the genome of mouse.


name: FLT3_MOUSE Receptor-type tyrosine-protein kinase FLT3 (sprot)

description: A receptor-type tyrosine-protein kinase FLT3 that is encoded in the genome of mouse.


name: FGFR4_MOUSE Fibroblast growth factor receptor 4 (sprot)

description: A fibroblast growth factor receptor 4 that is encoded in the genome of mouse.


name: FGFR3_MOUSE Fibroblast growth factor receptor 3 (sprot)

description: A fibroblast growth factor receptor 3 that is encoded in the genome of mouse.


name: EPHA3_MOUSE Ephrin type-A receptor 3 (sprot)

description: An ephrin type-A receptor 3 that is encoded in the genome of mouse.


name: BMX_MOUSE Cytoplasmic tyrosine-protein kinase BMX (sprot)

description: A cytoplasmic tyrosine-protein kinase BMX that is encoded in the genome of mouse.


name: ROS1_MOUSE Proto-oncogene tyrosine-protein kinase ROS (sprot)

description: A proto-oncogene tyrosine-protein kinase ROS that is encoded in the genome of mouse.


PENTADECYLAMINE

An alkylamine that is pentadecane substituted by an amino group at position 1.


name: Acetic acid, ((6-methyl-2-benzothiazolyl)amino)oxo-, ethyl ester


name: CALRL_MOUSE Calcitonin gene-related peptide type 1 receptor (sprot)

description: A calcitonin gene-related peptide type 1 receptor that is encoded in the genome of mouse.


acetylpyruvic acid

A dioxo monocarboxylic acid that is pentanoic acid carrying two oxo groups at positions 2 and 4.


glasdegib

A member of the class of benzimidazoles that is 1H-benzimidazole which is substituted by a (2R,4S)-4-{[(4-cyanophenyl)carbamoyl]amino}-1-methylpiperidin-2-yl group at position 2. It is a hedgehog signalling pathway inhibitor that acts by binding to Smoothened (SMO) receptors and blocking signal transduction (IC50 = 5 nM). It is used in combination with low-dose cytarabine, for the treatment of newly-diagnosed acute myeloid leukemia (AML) in adult patients (aged >= 75 years), or who have medical conditions that prevent the use of standard chemotherapy.


name: CGAT1_HUMAN Chondroitin sulfate N-acetylgalactosaminyltransferase 1 (sprot)

description: A chondroitin sulfate N-acetylgalactosaminyltransferase 1 that is encoded in the genome of human.


ANISOLE

A monomethoxybenzene that is benzene substituted by a methoxy group.


name: KAT3_HUMAN Kynurenine--oxoglutarate transaminase 3 (sprot)

description: A kynurenine--oxoglutarate transaminase 3 that is encoded in the genome of human.


lifitegrast

An N-acyl-L-alpha-amino acid obtained by formal condensation of the carboxy group of N-[2-(1-benzofuran-6-carbonyl)]-5,7-dichloro-1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid with the amino group of 3-(methanesulfonyl)-L-phenylalanine. Used for treatment of keratoconjunctivitis sicca (dry eye syndrome).


name: MLTB_ECOLI Membrane-bound lytic murein transglycosylase B (sprot)

description: A membrane-bound lytic murein transglycosylase B that is encoded in the genome of Escherichia coli K-12.


name: MRP5_HUMAN ATP-binding cassette sub-family C member 5 (sprot)

description: An ATP-binding cassette sub-family C member 5 that is encoded in the genome of human.


name: PHF2_HUMAN Lysine-specific demethylase PHF2 (sprot)

description: A lysine-specific demethylase PHF2 that is encoded in the genome of human.


name: KDM7A_HUMAN Lysine-specific demethylase 7A (sprot)

description: A lysine-specific demethylase 7A that is encoded in the genome of human.


NRAM_I72A2 Neuraminidase (sprot)

A neuraminidase subtype N2 (Influenza A virus) that is encoded in the genome of the H3N2 strain A/Udorn/307/1972.


name: MET_CANLF Hepatocyte growth factor receptor (sprot)

description: A hepatocyte growth factor receptor that is encoded in the genome of dog.


name: S27A1_HUMAN Long-chain fatty acid transport protein 1 (sprot)

description: A long-chain fatty acid transport protein 1 that is encoded in the genome of human.


name: S27A1_MOUSE Long-chain fatty acid transport protein 1 (sprot)

description: A long-chain fatty acid transport protein 1 that is encoded in the genome of mouse.


(+)-PINORESINOL

An enantiomer of pinoresinol having (-)-1R,3aS,4R,6aS-configuration.


A hydroxypregnenolone that is pregnenolone which has been substituted by a hydroxy group at position 21.


pregnenolone

A 20-oxo steroid that is pregn-5-ene substituted by a beta-hydroxy group at position 3 and an oxo group at position 20.


name: PTEN_HUMAN Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN (sprot)

description: A phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN that is encoded in the genome of human.


name: PTPM1_HUMAN Phosphatidylglycerophosphatase and protein-tyrosine phosphatase 1 (sprot)

description: A protein-tyrosine phosphatase mitochondrial 1 that is encoded in the genome of human.


avicholate

A bile acid anion that is the conjugate base of avicholic acid obtained by deprotonation of the carboxy group; major species at pH 7.3.


MLX_HUMAN Max-like protein X (sprot)

A Max-like protein X that is encoded in the genome of human.


name: Pyrrolo[3,4-c]pyrazole-5(1H)-carboxylic acid, 3-[(4-fluorobenzoyl)amino]-4,6-dihydro-6,6-dimethyl-, (1S)-2-(dimethylamino)-1-phenylethyl ester


name: Pyrrolo[3,4-c]pyrazole-5(1H)-carboxylic acid, 3-[(2,2-dimethyl-1-oxopropyl)amino]-4,6-dihydro-6,6-dimethyl-, (1S)-2-(dimethylamino)-1-phenylethyl ester


CHROMONE

The simplest member of the class of chromones that is 4H-chromene with an oxo group at position 4.


A monoamino-1,3,5-triazine that is cytosine in which the aromatic CH at position 5 is replaced by a nitrogen.


aminobenzoic acid

A zwitterion obtained by transfer of a proton from the carboxy to the amino group of 4-aminobenzoic acid.


name: GGTA1_BOVIN N-acetyllactosaminide alpha-1,3-galactosyltransferase (sprot)

description: An N-acetyllactosaminide alpha-1,3-galactosyltransferase that is encoded in the genome of cow.


name: SODE_HUMAN Extracellular superoxide dismutase [Cu-Zn] (sprot)

description: An extracellular superoxide dismutase [Cu-Zn] that is encoded in the genome of human.


A  monocarboxylic acid amide that is the propyl amide of adenosine 5'-carboxylic acid.


TBB5_HUMAN Tubulin beta chain (sprot)

A tubulin beta chain that is encoded in the genome of human.


A member of the class of benzimidazoles that is 1H-benzimidazole substituted by (1S)-1-cyclohexylethyl, 6-bromo-1,3-benzodioxol-5-yl, and 4-(cyanoanilino)acyl groups at positions 1, 2 and 5, respectively. It is an allosteric modulator of protease-activated receptor 2 (IC50 = 23 nM) and exhibits anti-osteoarthritis properties.


CATK_CANLF Cathepsin K (sprot)

A cathepsin K that is encoded in the genome of dog.


name: CHMU_MYCTU Intracellular chorismate mutase (sprot)

description: A protein that is a translation product of the Rv0948c gene in Mycobacterium tuberculosis H37Rv.


name: 1-Bromo-6-propyl-2-naphthalenyl Ester N,N-Dimethylcarbamic Acid


name: [2-(4-Benzothiazol-2-yl-thiophene-2-sulfonylamino)-thiazol-4-yl]-acetic acid ethyl ester


name: 3-Indolineglyoxylic acid, 2-oxo-, methyl ester


name: MURA1_STAAN UDP-N-acetylglucosamine 1-carboxyvinyltransferase 1 (sprot)


name: TESK2_HUMAN Dual specificity testis-specific protein kinase 2 (sprot)

description: A dual specificity testis-specific protein kinase 2 that is encoded in the genome of human.


An organosulfonate oxoanion obtained by deprotonation of both sulfonyl groups of bromosulfophthalein.


An N-glycosylpyrrolopyrimidine that is tubercidin in which the hydroxy group at position 2 of the ribose moiety has been replaced by a hydrogen.


ergometrine

A monocarboxylic acid amide that  is lysergamide in which one of the hydrogens attached to the amide nitrogen is substituted by a 1-hydroxypropan-2-yl group (S-configuration). An ergot alkaloid that has a particularly powerful action on the uterus, its maleate (and formerly tartrate) salt is used in the active management of the third stage of labour, and to prevent or treat postpartum of postabortal haemorrhage caused by uterine atony: by maintaining uterine contraction and tone, blood vessels in the uterine wall are compressed and blood flow reduced.


dihydroergocristine

Ergocristine in which a single bond replaces the double bond between positions 9 and 10. It is used as the mesylate salt for the symptomatic treatment of mental deterioration associated with cerebrovascular insufficiency and in peripheral vascular disease.


α-ergocryptine

Ergotaman bearing hydroxy, isopropyl, and 2-methylpropyl groups at the 12', 2' and 5' positions, respectively, and oxo groups at positions 3', 6', and 18. It is a natural ergot alkaloid. Ergocryptine discussed in the literature prior to 1967, when beta-ergocryptine was separated from alpha-ergocryptine, is now referred to as alpha-ergocryptine.


name: NTCP2_MOUSE Ileal sodium/bile acid cotransporter (sprot)

description: An ileal sodium/bile acid cotransporter that is encoded in the genome of mouse.


PROSTAGLANDIN B1

A member of the class of prostaglandins B that is prosta-8(12),13-dien-1-oic acid carrying oxo and hydroxy substituents at positions 9 and 15 respectively (the 13E,15S-stereoisomer).


cefazolin

A first-generation cephalosporin compound having [(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl and (1H-tetrazol-1-ylacetyl)amino side-groups at positions 3 and 7 respectively.


name: S22A7_HUMAN Solute carrier family 22 member 7 (sprot)

description: A solute carrier family 22 member 7 that is encoded in the genome of human.


name: S22A7_RAT Solute carrier family 22 member 7 (sprot)

description: A solute carrier family 22 member 7 that is encoded in the genome of rat.


name: S22AB_HUMAN Solute carrier family 22 member 11 (sprot)

description: A solute carrier family 22 member 11 that is encoded in the genome of human.


name: SO1A3_RAT Solute carrier organic anion transporter family member 1A3 (sprot)

description: A protein that is a translation product of the Slc21a4 gene in rat.


name: SO1A2_HUMAN Solute carrier organic anion transporter family member 1A2 (sprot)

description: A solute carrier organic anion transporter family member 1A2 that is encoded in the genome of human.


name: MRP3_RAT 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 rat.


E3040 GLUCURONIDE

A member of the class of benzothiazoles that is E3040 in which the hydroxy hydrogen at position 6 has been replaced by a beta-D-glucosiduronic acid group. It is a metabolite of the anti-inflammatory drug, E3040.


NAAG

A dipeptide composed of N-acetyl-L-aspartic acid and L-glutamic acid joined by a peptide linkage.


ACTINIDIC ACID

A pentacyclic triterpenoid that is ursa-12,20(30)-diene substituted by a carboxy group at position 28 and hydroxy groups at positions 2, 3 and 23. It is a phytoalexin isolated from the peel of unripe kiwi fruit Actinidia deliciosa.


name: PRUN1_HUMAN Exopolyphosphatase PRUNE1 (sprot)

description: An exopolyphosphatase PRUNE1 that is encoded in the genome of human.


luminespib

A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-(2,4-dihydroxy-5-isopropylphenyl)-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxylic acid with the amino group of ethylamine.


name: DUS4_HUMAN Dual specificity protein phosphatase 4 (sprot)

description: A dual specificity protein phosphatase 4 that is encoded in the genome of human.


name: HCAR1_HUMAN Hydroxycarboxylic acid receptor 1 (sprot)

description: A hydroxycarboxylic acid receptor 1 that is encoded in the genome of human.


name: HCAR1_MOUSE Hydroxycarboxylic acid receptor 1 (sprot)

description: A hydroxycarboxylic acid receptor 1 that is encoded in the genome of mouse.


name: PAMAM dendrimer, ethylenediamine core, generation 2.0 solution


A member of the class of  benzofurans that is  1-benzofuran substituted by a 3-hydroxypropyl group at position 5 and a 4-hydroxy-2-methoxyphenyl group at position 2. It is a lignan derivative isolated from the roots of Krameria lappacea.


RATANIAPHENOL I

A member of the class of benzofurans that is 1-benzofuran substituted by a 2-hydroxy-4-methoxyphenyl group at position 2 and a prop-1-en-1-yl group at position 5. It is a lignan derivative isolated from the roots of Krameria lappacea.


RATANIAPHENOL II

A member of the class of benzofurans that is 1-benzofuran substituted by a 4-hydroxyphenyl group at position 2, a methyl group at position 3 and a prop-1-en-1-yl group at position 5. It is a lignan derivative isolated from the roots of Krameria lappacea.


RATANIAPHENOL III

A member of the class of benzofurans that is 1-benzofuran substituted by a 2-methoxy-4-hydroxyphenyl group at position 2 and a prop-1-en-1-yl group at position 5. It is a lignan derivative isolated from the roots of Krameria lappacea.


A member of the class of benzofurans that is 1-benzofuran substituted by a 4-hydroxyphenyl group at position 2 and a prop-1-en-1-yl group at position 5. It is a lignan derivative isolated from the roots of Krameria lappacea.


A member of the class of  benzofurans that is 1-benzofuran substituted by a 2-hydroxy-4-methoxyphenyl group at position 2 and a 3-hydroxypropyl group at position 5. It is a lignan derivative isolated from the roots of  Krameria lappacea.


A member of the class of benzofurans that is 1-benzofuran substituted by a 2,4-dihydroxyphenyl group at position 2 and a prop-1-en-1-yl group at position 5. It is a lignan derivative isolated from the roots of Krameria lappacea.


name: ASNS_HUMAN Asparagine synthetase [glutamine-hydrolyzing] (sprot)

description: An asparagine synthetase [glutamine-hydrolyzing] that is encoded in the genome of human.


name: SCN8A_RAT Sodium channel protein type 8 subunit alpha (sprot)

description: A sodium channel protein type 8 subunit alpha that is encoded in the genome of rat.


ASAH2_HUMAN Neutral ceramidase (sprot)

A neutral ceramidase that is encoded in the genome of human.


METH_HUMAN Methionine synthase (sprot)

A methionine synthase that is encoded in the genome of human.


name: TSSK2_HUMAN Testis-specific serine/threonine-protein kinase 2 (sprot)

description: A testis-specific serine/threonine-protein kinase 2 that is encoded in the genome of human.


name: [4-(4-Acryloylamino-piperidine-1-sulfonyl)-phenyl]carbamic acid benzyl ester


name: [4-(4-Acryloylamino-piperidin-1-ylmethyl)-phenyl]carbamic acid benzyl ester


name: TGM2_MOUSE Protein-glutamine gamma-glutamyltransferase 2 (sprot)

description: A protein-glutamine gamma-glutamyltransferase 2 that is encoded in the genome of mouse.


An icosanoid that is (6E,8Z,11Z,14Z,17Z)-icosapentaenoic acid carrying an oxo substituent at position 5. An intermediate of specialised proresolving mediators.


name: KC1A_PIG Casein kinase I isoform alpha (Fragment) (sprot)


name: SUCR1_HUMAN Succinate receptor 1 (sprot)

description: A succinate receptor 1 that is encoded in the genome of human.


SUCR1_RAT Succinate receptor 1 (sprot)

A succinate receptor 1 that is encoded in the genome of rat.


name: OXGR1_HUMAN 2-oxoglutarate receptor 1 (sprot)

description: A 2-oxoglutarate receptor 1 that is encoded in the genome of human.


name: S47A1_HUMAN Multidrug and toxin extrusion protein 1 (sprot)

description: A multidrug and toxin extrusion protein 1 that is encoded in the genome of human.


name: CD2_HUMAN T-cell surface antigen CD2 (sprot)

description: A CD2 molecule that is encoded in the genome of human.


name: ACHA7_MACMU Neuronal acetylcholine receptor subunit alpha-7 (sprot)

description: A protein that is a translation product of the CHRNA7 gene in Macaca mulatta.


A member of the class of 1,2,4-triazines in which the triazine ring is substituted at positions 3, 5, and 6 by pyridin-2-yl, ([biphenyl]-4-ylmethyl)amin, and methyl groups, respectively. It is an activator of the hypoxia inducible factor (HIF) pathway.


PSN2_HUMAN Presenilin-2 (sprot)

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


name: DUS2_HUMAN Dual specificity protein phosphatase 2 (sprot)

description: A dual specificity protein phosphatase 2 that is encoded in the genome of human.


name: 4-cyanobenzoic acid [6-[[(4-methyl-2-pyrimidinyl)thio]methyl]-4-oxo-3-pyranyl] ester


name: 4-nitrobenzoic acid [6-[[(4-methyl-2-pyrimidinyl)thio]methyl]-4-oxo-3-pyranyl] ester


name: 4-methyl-3-nitrobenzoic acid [6-[[(4-methyl-2-pyrimidinyl)thio]methyl]-4-oxo-3-pyranyl] ester


name: 4-cyanobenzoic acid [4-oxo-6-[(2-pyrimidinylthio)methyl]-3-pyranyl] ester


name: 4-methyl-3-nitrobenzoic acid [4-oxo-6-[(2-pyrimidinylthio)methyl]-3-pyranyl] ester


name: FANCF_HUMAN Fanconi anemia group F protein (sprot)

description: A Fanconi anemia group F protein that is encoded in the genome of human.


sonidegib

A member of the classo of biphenyls that is the amide obtained by formal condensation of the carboxy group of 2-methyl-4'-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxylic acid with the amino group of 6-(2,6-dimethylmorpholin-4-yl)pyridin-3-amine. Used (as its phosphate salt) for treatment of locally advanced basal cell carcinoma.


(10E,12Z)-octadecadienoic acid

An octadeca-10,12-dienoic acid having (10E,12Z)-configuration.


name: trans-{2-[4-(4-Hydroxy-piperidine-1-carbonyl)-cyclohexyl]-ethyl}-methyl-carbamic acid 4-chloro-phenyl ester


UT1_MOUSE Urea transporter 1 (sprot)

A urea transporter 1 that is encoded in the genome of mouse.


An adenosine 3'-phosphate with a monophosphate group at the 3'-position.


name: ETHR_MYCS2 HTH-type transcriptional regulator EthR (sprot)

description: A protein that is a translation product of the ethR gene in Mycolicibacterium smegmatis MC2 155.


name: MAPK2_MOUSE MAP kinase-activated protein kinase 2 (sprot)

description: A MAP kinase-activated protein kinase 2 that is encoded in the genome of mouse.


name: BHMT2_HUMAN S-methylmethionine--homocysteine S-methyltransferase BHMT2 (sprot)

description: A betaine--homocysteine S-methyltransferase 2 that is encoded in the genome of human.


name: (6-Phenyl-hexyl)-carbamic acid 3-(3-carbamoyl-5-methyl-thiophen-2-yl)-phenyl ester


name: Butyl-carbamic acid 3-(3-carbamoyl-pyrrol-1-yl)-phenyl ester


macitentan

A member of the class of sulfamides in which the two amino groups of sulfonamide are substituted by 5-(4-bromophenyl)-6-{2-[(5-bromopyrimidin-2-yl)oxy]ethoxy}pyrimidin-4-yl and propyl groups. An orphan drug used for the treatment of pulmonary arterial hypertension.


aprocitentan

A member of the class of sulfamides in which one of the amino groups of sulfonamide is substituted by a 5-(4-bromophenyl)-6-{2-[(5-bromopyrimidin-2-yl)oxy]ethoxy}pyrimidin-4-yl group. An active metabolite of macitentan (obtained by oxidative depropylation), an orphan drug used for the treatment of pulmonary arterial hypertension.


KLK7_MOUSE Kallikrein-7 (sprot)

A kallikrein-7 that is encoded in the genome of mouse.


VERATRAMINE

A piperidine alkaloid comprising the 14,15,16,17-tetradehydro derivative of veratraman having two hydroxy groups at the 3- and 23-positions.


name: SUV39_DROME Histone-lysine N-methyltransferase Su(var)3-9 (sprot)

description: A protein that is a translation product of the Su(var)3-9 gene in fruit fly.


name: MED23_HUMAN Mediator of RNA polymerase II transcription subunit 23 (sprot)

description: A mediator of RNA polymerase II transcription subunit 23 that is encoded in the genome of human.


name: NGF_HUMAN Beta-nerve growth factor (sprot)

description: A beta-nerve growth factor that is encoded in the genome of human.


stattic

A member of the class of 1-benzothiophenes that is 1-benzothiophene-1,1-dioxide substituted at position 6 by a nitro group. Used as a radiosensitising agent for esophageal squamous cell carcinoma.


name: HAOX2_HUMAN 2-Hydroxyacid oxidase 2 (sprot)

description: A 2-hydroxyacid oxidase 2 that is encoded in the genome of human.


name: DHCR7_HUMAN 7-dehydrocholesterol reductase (sprot)

description: A 7-dehydrocholesterol reductase that is encoded in the genome of human.


H4_HUMAN Histone H4 (sprot)

A histone H4 that is encoded in the genome of human.


A monocarboxylic acid anion that is the conjugate base of lonazolac, obtained by deprotonation of the carboxy group.


djalonensone

A benzochromenone that is alternariol in which the hydroxy group at position 9 has been converted into the corresponding methyl ether. A natural product found in Chaetomium globosum as well as being one of the two most important compounds belonging to the group of Altenaria mycotoxins.


SILVESTROL

An organic heterotricyclic compound that consists of a  2,3,3a,8b-tetrahydro-H-benzo[b]cyclopenta[d]furan framework substituted by hydroxy groups at positions C-1 and C-8b, a methoxycarbonyl group at C-2, a phenyl group at C-3, a 4-methoxyphenyl group at C-3a, a methoxy group at C-8 and a 1,4-dioxan-2-yloxy group at position C-6 which in turn is substituted by a methoxy group at position 3 and a 1,2-dihydroxyethyl group at position 6. Isolated from Aglaia silvestris, it exhibits antineoplastic activity.


AGLAFOLIN

A heterotricyclic compound based on a 2,3,3a,8b-tetrahydro-1H-benzo[b]cyclopenta[d]furan framework substituted by hydroxy groups at positions C-1 and C-8b, a methoxycarbonyl group at C-2, a phenyl group at C-3, a 4-methoxyphenyl group at C-3a and methoxy groups at C-6 and C-8. A platelet aggregation inhibitor found in Aglaia elliptifolia and Aglaia odorata.


name: NMT_PLAF7 Glycylpeptide N-tetradecanoyltransferase (sprot)


(S)-carprofen

The (S)-(+)-enantiomer of carprofen.


name: CDPK4_PLAF7 Calcium-dependent protein kinase 4 (sprot)


name: CP51_CANAL Lanosterol 14-alpha demethylase (sprot)

description: A protein that is a translation product of the ERG11 gene in Candida albicans SC5314.


name: (2R,3S,4R)-2-[2-chloro-6-(3-iodobenzylamino)purin-9-yl)-3,4-dihydroxytetrahydrothiophene-2-carboxylic acid methyl amide


name: PGDA2_BACCR Peptidoglycan-N-acetylglucosamine deacetylase BC_1974 (sprot)


name: PGDA1_BACCR Peptidoglycan-N-acetylglucosamine deacetylase BC_1960 (sprot)


A member of the class of pyrazines that is pyrazine substituted by (pyridin-3-yl)aminocarbonyl, amino, and 4-(4-methylpiperazine-1-sulfonyl)phenyl groups at positions 2, 3 and 6, respectively. It is a potent inhibitor of GSK3alpha and GSK3beta (IC50 values of 0.9 and 4.9 nM, respectively) and increases bone mass (via Wnt activation) in rats.


name: (2-methyl-4-phenyl-2H-pyrazol-3-yl)-carbamic acid 1-(2-chloro-phenyl)-ethyl ester


name: 2-methyl-4-phenyl-2H-pyrazol-3-yl-carbamic acid (R)-1-phenyl-ethyl ester


AUKBA_XENLA Aurora kinase B-A (sprot)

An aurora kinase B that is encoded in the genome of frog.


PAG_BACAN Protective antigen (sprot)

A protein that is a translation product of the pagA gene in Bacillus anthracis.


MARIZOMIB

A salinosporamide in which the core (1R)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione skeleton is substituted at positions 1, 4, and 5 by (1S)-cyclohex-2-en-1-yl(hydroxy)methyl, 2-chloroethyl, and methyl groups, respectively (the 1R,4R,5S diastereoisomer). A potent proteasome inhibitor, it has attracted interest for potential use in the treatment of various cancers.


name: ENTP3_HUMAN Ectonucleoside triphosphate diphosphohydrolase 3 (sprot)

description: An ectonucleoside triphosphate diphosphohydrolase 3 that is encoded in the genome of human.


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


P2RX4_MOUSE P2X purinoceptor 4 (sprot)

A P2X purinoceptor 4 that is encoded in the genome of mouse.


name: 3-Phenylpropionic acid, 2-phenylethyl ester


name: Caffeic acid 3,4-Dihydroxyphenethyl ester


ALBU_MOUSE Albumin (sprot)

An albumin that is encoded in the genome of mouse.


name: CLC4K_HUMAN C-type lectin domain family 4 member K (sprot)

description: A C-type lectin domain family 4 member K that is encoded in the genome of human.


name: MRC1_HUMAN Macrophage mannose receptor 1 (sprot)

description: A macrophage mannose receptor 1 that is encoded in the genome of human.


name: CLC4C_HUMAN C-type lectin domain family 4 member C (sprot)

description: A C-type lectin domain family 4 member C that is encoded in the genome of human.


telatinib

A member of the class of furopyridazines that is furo[2,3-d]pyridazine substituted by (4-chlorophenyl)amino and [2-(methylcarbamoyl)pyridin-4-yl]methoxy groups at positions 4 and 7, respectively. It is a potent inhibitor of VEGFR2/3, c-Kit and PDGFRalpha.


name: GLSL_MOUSE Glutaminase liver isoform, mitochondrial (sprot)

description: A glutaminase liver isoform, mitochondrial that is encoded in the genome of mouse.


anthragallol

A trihydroxyanthraquinone that is anthracene-9,10-dione substituted by hydroxy groups at positions 1, 2 and 3.


name: THIL_RAT Acetyl-CoA acetyltransferase, mitochondrial (sprot)

description: An acetyl-CoA acetyltransferase, mitochondrial that is encoded in the genome of rat.


AGI-5198 (IDH-C35) is a potent and selective mutant IDH1 R132H inhibitor


name: S26A1_MOUSE Sulfate anion transporter 1 (sprot)

description: A sulfate anion transporter 1 that is encoded in the genome of mouse.


puromycin

An aminonucleoside antibiotic, derived from the Streptomyces alboniger bacterium, that causes premature chain termination during translation taking place in the ribosome.


name: CAC1A_HUMAN Voltage-dependent P/Q-type calcium channel subunit alpha-1A (sprot)

description: A voltage-dependent P/Q-type calcium channel subunit alpha-1A that is encoded in the genome of human.


name: DNJA1_HUMAN DnaJ homolog subfamily A member 1 (sprot)

description: A DnaJ homolog subfamily A member 1 that is encoded in the genome of human.


IPAG

IPAG is a potent sigma-receptor antagonist.


name: PPME1_MOUSE Protein phosphatase methylesterase 1 (sprot)

description: A protein phosphatase methylesterase 1 that is encoded in the genome of mouse.


name: LEG4_CHICK Beta-galactoside-binding lectin (sprot)

description: A protein that is a translation product of the LGALS1 gene in chicken.


name: STAT6_MOUSE Signal transducer and transcription activator 6 (sprot)

description: A signal transducer and activator of transcription 6 that is encoded in the genome of mouse.


name: THIOM_HUMAN Thioredoxin, mitochondrial (sprot)

description: A thioredoxin, mitochondrial that is encoded in the genome of human.


THIO_HUMAN Thioredoxin (sprot)

A thioredoxin that is encoded in the genome of human.


name: LOX15_SOLTU Probable linoleate 9S-lipoxygenase 5 (sprot)

description: A protein that is a translation product of the LOX1.5 gene in Solanum tuberosum.


NEOCUPROINE

A member of the class of phenanthrolines that is 1,10-phenanthroline bearing two methyl substituents at positions 2 and 9.


name: 4,4-Dimethyl-3-oxochol-5-en-24-oic acid methyl ester


The organoarsonic acid anion formed by loss of a single proton from the arsonic acid grouping in phenylarsonic acid.


name: 4-Piperidinecarboxylic acid, 1-(3-cyano-3,3-diphenylpropyl)-4-phenyl-, methyl ester


diphenoxylate

A piperidinecarboxylate ester that is the ethyl ester of difenoxin.


name: TBK1_MOUSE Serine/threonine-protein kinase TBK1 (sprot)

description: A serine/threonine-protein kinase TBK1 that is encoded in the genome of mouse.


name: VATC_MANSE V-type proton ATPase subunit C (sprot)


name: I23O2_MOUSE Indoleamine 2,3-dioxygenase 2 (sprot)

description: An indoleamine 2,3-dioxygenase 2 that is encoded in the genome of mouse.


name: CARP2_CANAX Secreted aspartic protease 2 (sprot)


name: 2-(4-Adamantan-1-yl-phenoxymethyl)-1h-benzoimidazole-5-carboxylic acid methyl ester


name: GLUT4_HUMAN Solute carrier family 2, facilitated glucose transporter member 4 (sprot)

description: A solute carrier family 2, facilitated glucose transporter member 4 that is encoded in the genome of human.


name: GLUT4_RAT Solute carrier family 2, facilitated glucose transporter member 4 (sprot)

description: A solute carrier family 2, facilitated glucose transporter member 4 that is encoded in the genome of rat.


name: SL2A8_HUMAN Solute carrier family 2, facilitated glucose transporter member 8 (sprot)

description: A solute carrier family 2, facilitated glucose transporter member 8 that is encoded in the genome of human.


name: 7-Chloro-1,4-dihydro-3-[[4-[(methylamino)sulfonyl]phenyl] methyl]-4-oxo-1-phenyl-2-quinolinecarboxylic acid methyl ester


name: 7-Fluoro-3-(4-methanesulfonyl-piperidin-1-ylmethyl)-4-oxo-1-phenyl-1,4-dihydro-quinoline-2-carboxylic acid methyl ester


name: 7-Chloro-4-oxo-1-phenyl-3-[4-(piperazine-1-sulfonyl)-benzyl]-1,4-dihydroquinoline-2-carboxylic acid methyl ester


name: MA1B1_HUMAN Endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase (sprot)

description: An endoplasmic reticulum mannosyl-oligosaccharide 1,2-alpha-mannosidase that is encoded in the genome of human.


name: MCAT_HUMAN Mitochondrial carnitine/acylcarnitine carrier protein (sprot)

description: A mitochondrial carnitine/acylcarnitine carrier protein that is encoded in the genome of human.


O-octanoyl-D-carnitine

An O-acyl-D-carnitine in which the acyl group specified as octanoyl.


name: CPT1A_HUMAN Carnitine O-palmitoyltransferase 1, liver isoform (sprot)

description: A carnitine O-palmitoyltransferase 1, liver isoform that is encoded in the genome of human.


name: CPT1B_HUMAN Carnitine O-palmitoyltransferase 1, muscle isoform (sprot)

description: A carnitine O-palmitoyltransferase 1, muscle isoform that is encoded in the genome of human.


name: KCNE1_RABIT Potassium voltage-gated channel subfamily E member 1 (sprot)

description: A potassium voltage-gated channel subfamily E member 1 that is encoded in the genome of rabbit.


An aminopyrimidine in which the pyrimidine ring bears amino and hydroxy substituents at positions 2 and 4, respectively.


name: Ethanone, 1-cyclopropyl-, O-(3-((1,1-dimethylethyl)amino)-2-hydroxypropyl)oxime, (R-(E))-


name: IDI_ECOLI Isopentenyl-diphosphate Delta-isomerase (sprot)

description: An isopentenyl-diphosphate Delta-isomerase that is encoded in the genome of Escherichia coli K-12.


3,5-dichlorobenzoic acid

A chlorobenzoic acid that is benzoic acid in which the ring hydrogens at positions 3 and 5 are substituted by chloro groups.


3,5-dinitrobenzoic acid

A member of the class of benzoic acids that is benzoic acid in which the hydrogens at positions 3 and 5 are replaced by nitro groups.


3-methoxybenzoic acid

A methoxybenzoic acid that is benzoic acid substituted by a methoxy group at position 3.


3,5-dimethylbenzoic acid

A dimethylbenzoic acid in which the two methyl groups are located at positions 3 and 5.


m-toluic acid

A methylbenzoic acid carrying a methyl substituent at position 3.


name: (S)-2-((S)-2-Benzyloxycarbonylamino-3-mercapto-propionylamino)-4-methyl-pentanoic acid methyl ester


name: 4-Guanidino benzoic acid 4-t-butylphenyl ester


name: p-Guanidinobenzoic acid 4-allyl-2-methoxyphenyl ester


name: Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-hexyl-3-hydroxyphenyl ester


name: 3-(1-((4-Carboxycyclohexyl)carbamoyl)cyclopentyl)-2-(2-methoxyethoxymethyl)propanoic acid 5-indanyl ester


P2RY6_MOUSE P2Y purinoceptor 6 (sprot)

A P2Y purinoceptor 6 that is encoded in the genome of mouse.


name: CCR4_CANLF C-C chemokine receptor type 4 (sprot)


name: DHC24_HUMAN Delta(24)-sterol reductase (sprot)

description: A Delta(24)-sterol reductase that is encoded in the genome of human.


TANARIFLAVANONE D

A tetrahydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5, 7, 3' and 4' and a 6-hydroxy-3,7-dimethylocta-2,7-dienyl group at position 6. Isolated from Macaranga tanarius, it exhibits antineoplastic and radical scavenging activities.


DEMETHOXYMATTEUCINOL

A dihydroxyflavanone that is (2S)-flavanone substituted by hydroxy groups at positions 5 and 7 and methyl groups at positions 6 and 8. Isolated from the buds of Cleistocalyx operculatus, it has been shown to exhibit inhibitory effects on the viral neuraminidases from two influenza viral strains, H1N1 and H9N2.


A trihydroxyflavanone that is demethoxymatteucinol with an additional hydroxy group at position 2'. Isolated from Pisonia aculeata, it exhibits antitubercular activity.


matteucinol

A dihydroxyflavanone that is (2S)-flavanone with hydroxy groups at positions 5 and 7, methyl groups at positions 6 and 8 and a methoxy group at position 4'.


An organoboron compound that is diphenylborane in which the borane hydrogen is replaced by a 2-aminoethoxy group.


name: TRPM2_HUMAN Transient receptor potential cation channel subfamily M member 2 (sprot)

description: A transient receptor potential cation channel subfamily M member 2 that is encoded in the genome of human.


name: TRPM2_RAT Transient receptor potential cation channel subfamily M member 2 (sprot)

description: A transient receptor potential cation channel subfamily M member 2 that is encoded in the genome of rat.


name: TRPM7_MOUSE Transient receptor potential cation channel subfamily M member 7 (sprot)

description: A transient receptor potential cation channel subfamily M member 7 that is encoded in the genome of mouse.


name: NEMO_HUMAN NF-kappa-B essential modulator (sprot)

description: An NF-kappa-B essential modulator that is encoded in the genome of human.


name: RIPK2_MOUSE Receptor-interacting serine/threonine-protein kinase 2 (sprot)

description: A receptor-interacting serine/threonine-protein kinase 2 that is encoded in the genome of mouse.


name: DRTS_PLABA Bifunctional dihydrofolate reductase-thymidylate synthase (sprot)


esmolol

A racemate comprising equimolar amounts of (R)- and (S)-esmolol. A cardioselective and short-acting beta1 receptor blocker with rapid onset but lacking intrinsic sympathomimetic and membrane-stabilising properties, it is used as the hydrochloride salt in the management of supraventricular arrhythmias, and for the control of hypertension and tachycardia during surgery. While the S enantiomer possesses all of the heart rate control, both enantiomers contribute to lowering blood pressure.


name: MGAL_HUMAN Probable maltase-glucoamylase 2 (sprot)

description: A protein that is a translation product of the MGAM2 gene in human.


name: 4-(2-Hydroxy-3-isopropylamino-propoxy)-benzoic acid methyl ester


name: Benzenepropanoic acid, 4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-,ethyl ester


LOGANIN

An  iridoid monoterpenoid with formula C17H26O10 that is isolated from several plant species and exhibits neuroprotective and anti-inflammatory properties.


A member of the class of imidazoles that is 1H-benzimidazole in which the hydrogen at position 5 is substituted by a methyl group.


name: VM1N_BOTPA Snake venom metalloproteinase neuwiedase (Fragment) (sprot)


name: 3-Thiomorpholinecarboxylic acid, 5-oxo-, 1-oxide


name: PYR1_MOUSE Multifunctional protein CAD (sprot)

description: A multifunctional protein CAD that is encoded in the genome of mouse.


name: MBNL1_HUMAN Muscleblind-like protein 1 (sprot)

description: A muscleblind-like protein 1 that is encoded in the genome of human.


name: PKNA_MYCTU Serine/threonine-protein kinase PknA (sprot)


β-Cyano-L-alanine

A cyanoamino acid that is the 3-cyano-derivative of L-alanine.


An amphetamine that is propylbenzene substituted by a hydroxy group at position 1 and by an amino group at position 2 (the 1S,2R-stereoisomer).


cathine

An amphetamine that is propylbenzene substituted by a hydroxy group at position 1 and by an amino group at position 2 (the 1S,2S-stereoisomer).


desmosterol

A cholestanoid that is cholesta-5,24-diene substituted by a beta-hydroxy group at position 3. It is an intermediate metabolite obtained during the synthesis of cholesterol.


name: MAON_HUMAN NADP-dependent malic enzyme, mitochondrial (sprot)

description: An NADP-dependent malic enzyme, mitochondrial that is encoded in the genome of human.


name: MAOM_HUMAN NAD-dependent malic enzyme, mitochondrial (sprot)

description: An NAD-dependent malic enzyme, mitochondrial that is encoded in the genome of human.


An acetylspermidine having the acetyl group at the N1-position.


N-acetylputrescine

An N-monoacetylalkane-alpha,omega-diamine that is the N-monoacetyl derivative of putrescine.


name: SSR2_CANLF Somatostatin receptor type 2 (sprot)


A member of the class of aminoquinolines that is is quinoline substituted by 5-methylfuran-2-yl, (1-methylpiperidin-4-yl)amino, methoxy, and 3-(pyrrolidin-1-yl)propoxy groups at positions 2, 4, 6 and 7, respectively. It is a dual G9a/DNA methyltransferases inhibitor with antitumor activity. It inhibits G9a, DNMT1, DNMT3A, DNMT3B and GLP (IC50 = 8 nM, 382 nM, 85 nM, 1200 nM and 2 nM, respectively).


name: CP11A_HUMAN Cholesterol side-chain cleavage enzyme, mitochondrial (sprot)

description: A cytochrome P450 11A1, mitochondrial that is encoded in the genome of human.


name: LY6K_HUMAN Lymphocyte antigen 6K (sprot)

description: A lymphocyte antigen 6K that is encoded in the genome of human.


name: DHCR7_RAT 7-dehydrocholesterol reductase (sprot)

description: A 7-dehydrocholesterol reductase that is encoded in the genome of rat.


A naphthylamine that is naphthalene substituted by an amino group at position 1.


TETRAHYDROALSTONINE

A heteropentacyclic compound that is (20alpha)-16,17-didehydro-18-oxayohimban which is substituted at position 16 by a methoxycarbonyl group and at position 19 by a methyl group. It is a metabolite found in several plant species.


Arg-Ala

A dipeptide formed from L-arginyl and L-alanine residues.


Met-Gly

A dipeptide formed from L-methionine and glycine residues.


Gly-Ser

A dipeptide composed of glycine and L-serine joined by a peptide linkage.


Gly-Thr

A dipeptide formed from glycine and L-threonine residues.


Ile-Gly

A dipeptide formed from L-isoleucine and glycine residues.


His-Leu

A dipeptide formed from L-histidine and L-leucine residues.


Ile-Phe

A dipeptide formed from L-isoleucine and L-phenylalanine residues.


Val-Gly

A dipeptide formed from L-valine and glycine residues.


Ser-Gly

A dipeptide formed from L-serine and glycine residues.


name: Saccharin N-(2-Acetic Acid Methyl Ester)


Gln-Gly

A dipeptide formed from L-glutamine and glycine residues.


Leu-Gly

A dipeptide formed from L-leucine and glycine residues.


Gly-Arg

A dipeptide formed from glycine and L-arginine residues.


Phe-Arg

A dipeptide composed of L-phenylalanine and L-arginine joined by a peptide linkage.


Gly-Met

A dipeptide formed from glycine and L-methionine residues.


Gly-Val

A dipeptide formed from glycine and L-valine residues.


Gly-Gln

A dipeptide formed from glycine and L-glutamine residues.


L-prolylglycine

A dipeptide consisting of glycine having an L-prolyl group attached to its alpha-amino nitrogen.


Gly-Ile

A dipeptide formed from glycine and L-isoleucine residues.


LEU-ALA

A dipeptide composed of L-leucine and L-alanine joined by a peptide linkage.


name: BKRB2_RABIT B2 bradykinin receptor (sprot)


nitrazepam

A 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one which is substituted at positions 5 and 7 by phenyl and nitro groups, respectively. It is used as a hypnotic for the short-term management of insomnia and for the treatment of epileptic spasms in infants (West's syndrome).


An organobromine compound that is dibenzodioxine carrying four bromo substituents at positions 2, 3, 7 and 8.


A tetrachlorobiphenyl that is biphenyl in which each of the phenyl groups is substituted at positions 2 and 4 by chlorines.


A tetrachlorobiphenyl that is biphenyl in which the hydrogens at position 3 and 4 on each phenyl group are replaced by chlorines.


DIBENZOFURAN

A mancude organic heterotricyclic parent that consists of a furan ring flanked by two benzene rings ortho-fused across the 2,3- and 4,5-positions.


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


name: EF2K_RAT Eukaryotic elongation factor 2 kinase (sprot)

description: An elongation factor 2 kinase that is encoded in the genome of rat.


name: Benzoic acid, 4-(aminomethyl)-, propyl ester


name: 4-Aminomethyl-benzoic acid phenethyl ester


TLR1_HUMAN Toll-like receptor 1 (sprot)

A Toll-like receptor 1 that is encoded in the genome of human.


name: Nicotinic acid 1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl ester


name: 3-Cyano-benzoic acid 1,2,3-trimethoxy-9-methylsulfanyl-8-oxo-5,8-dihydro-6H-cyclohepta[a]naphthalen-6-ylmethyl ester


name: 4-Fluoro-benzoic acid 1,2,3-trimethoxy-9-methylsulfanyl-8-oxo-5,8-dihydro-6H-cyclohepta[a]naphthalen-6-ylmethyl ester


name: 3-Fluoro-benzoic acid 1,2,3-trimethoxy-9-methylsulfanyl-8-oxo-5,8-dihydro-6H-cyclohepta[a]naphthalen-6-ylmethyl ester


name: 2-Fluoro-benzoic acid 1,2,3-trimethoxy-9-methylsulfanyl-8-oxo-5,8-dihydro-6H-cyclohepta[a]naphthalen-6-ylmethyl ester


name: Isonicotinic acid 1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl ester


name: HLAA_HUMAN HLA class I histocompatibility antigen, A alpha chain (sprot)

description: An MHC class I histocompatibility antigen A alpha chain that is encoded in the genome of human.


name: DEGS1_RAT Sphingolipid delta(4)-desaturase DES1 (sprot)

description: A sphingolipid Delta(4)-desaturase DES1 that is encoded in the genome of rat.


CERS2_HUMAN Ceramide synthase 2 (sprot)

A ceramide synthase 2 that is encoded in the genome of human.


CERS1_HUMAN Ceramide synthase 1 (sprot)

A ceramide synthase 1 that is encoded in the genome of human.


CERS1_MOUSE Ceramide synthase 1 (sprot)

A ceramide synthase 1 that is encoded in the genome of mouse.


CERS2_MOUSE Ceramide synthase 2 (sprot)

A ceramide synthase 2 that is encoded in the genome of mouse.


CERS4_HUMAN Ceramide synthase 4 (sprot)

A ceramide synthase 4 that is encoded in the genome of human.


CERS5_MOUSE Ceramide synthase 5 (sprot)

A ceramide synthase 5 that is encoded in the genome of mouse.


CERS6_HUMAN Ceramide synthase 6 (sprot)

A ceramide synthase 6 that is encoded in the genome of human.


A member of the class of  phenols carrying an isopropyl group at position 2.


SYRINGOL

A member of the class of phenols that is phenol substituted by methoxy groups at positions 2 and 6.


A dibromophenol that is phenol in which both of the hydrogens that are ortho to the phenolic hydroxy group have been replaced by bromines.


A member of the class of phenols carrying two tert-butyl substituents at positions 2 and 4.


name: NSMA_MOUSE Sphingomyelin phosphodiesterase 2 (sprot)

description: A sphingomyelin phosphodiesterase 2 that is encoded in the genome of mouse.


name: NSMA2_RAT Sphingomyelin phosphodiesterase 3 (sprot)

description: A sphingomyelin phosphodiesterase 3 that is encoded in the genome of rat.


name: EST2C_MOUSE Acylcarnitine hydrolase (sprot)

description: A protein that is a translation product of the Ces2c gene in mouse.


A methyl ketone that is decane in which the methylene hydrogens at position 2 are replaced by an oxo group.


name: PDE9A_MOUSE High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (sprot)

description: A high affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A that is encoded in the genome of mouse.


parthenolide

A sesquiterpene lactone and active principle of Feverfew (Tanacetum parthenium).


name: ATPG_BOVIN ATP synthase subunit gamma, mitochondrial (sprot)


name: Methyl a-D-mannopyranoside 2,3,4,6-tetrasulfate potassium salt


name: NTCP_RAT Hepatic sodium/bile acid cotransporter (sprot)

description: A hepatic sodium/bile acid cotransporter that is encoded in the genome of rat.


name: CDN1A_HUMAN Cyclin-dependent kinase inhibitor 1 (sprot)

description: A cyclin-dependent kinase inhibitor 1 that is encoded in the genome of human.


(R)-betaxolol

The (R)-enantiomer of betaxolol.


name: (2S)-2-[4'-(2-benzyl-benzofuran-3-yl)-biphenyl-4-yloxy]-3-phenyl-propionic acid methyl ester


ARV-825 is a PROTAC connected by ligands for Cereblon and BRD4. ARV-825 binds to BD1 and BD2 of BRD4.


name: Carbamic acid, [2-[[(1R)-5-amino-1-[[(aminocarbonyl)oxy]methyl]pentyl]amino]-2-oxoethyl](4-aminobutyl)-, (2S)-2-amino-5-[(aminoiminomethyl)amino]pentyl ester


A dichlorobiphenyl that is chlorobenzene in which the hydrogen at position 2 has been replaced by a 4-chlorophenyl group.


EPITESTOSTERONE

An androstanoid that is the C-17 epimer of testosterone.


A member of the class of phenols that is phenol substituted with a  tert-butyl group at position 4.


A member of the class of phenols that is o-cresol in which the hydrogen para to the hydroxy group is replaced by a chlorine.


A member of the class of phenols that is phenol carrying a butan-2-yl group at position 2.


estriol

A 3-hydroxy steroid that is estra-1,3,5(10)-trien-3-ol substituted by additional hydroxy groups at positions 16 and 17 (16alpha,17beta-stereoisomer).


clofenotane

A chlorophenylethane that is 1,1,1-trichloro-2,2-diphenylethane substituted by additional chloro substituents at positions 4 of the phenyl substituents. It is a commonly used organochlorine insecticide.


A member of the class of phenols that is phenol which is substituted at the para- position by an octyl group.


propylparaben

The benzoate ester that is the propyl ester of 4-hydroxybenzoic acid.   Preservative typically found in many water-based cosmetics, such as creams, lotions, shampoos and bath products. Also used as a food additive.


DICHLORODIPHENYLDICHLOROETHYLENE

A chlorophenylethylene that is ethylene substituted by two 4-chlorophenyl groups at position 1 and two chlorine atoms at position 2.


2,4,5-TRICHLOROPHENOXYACETIC ACID

A chlorophenoxyacetic acid that is phenoxyacetic acid in which the ring hydrogens at postions 2, 4 and 5 are substituted by chlorines.


monobenzone

The monobenzyl ether of hydroquinone.  It is used as a topical drug for medical depigmentation.


HEPTACHLOR

A cyclodiene organochlorine insecticide that is 3a,4,7,7a-tetrahydro-1H-4,7-methanoindene substituted by chlorine atoms at positions 1, 4, 5, 6, 7, 8 and 8. Formerly used to kill termites, ants and other insects in agricultural and domestic situations.


A 3-hydroxy steroid resulting from deoxygenation at position 17 of estradiol or estrone.


methyltestosterone

A 17beta-hydroxy steroid that is testosterone bearing a methyl group at the 17alpha position.


A member of the class of phenols that is phenol which is para-substituted with a nonyl group.


DDD

A chlorophenylethane that is 2,2-bis(p-chlorophenyl)ethane substituted by two chloro groups at position 1. It is a metabolite of the  organochlorine insecticide, DDT.


A 17beta-hydroxyandrostan-3-one that has beta- configuration at position 5. It is a metabolite of testosterone.


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


name: DNER_HUMAN Delta and Notch-like epidermal growth factor-related receptor (sprot)

description: A delta and Notch-like epidermal growth factor-related receptor that is encoded in the genome of human.


nirogacestat

A member of the class of imidazoles that is 1H-imidazole substituted by a 1-[(2,2-dimethylpropyl)amino]-2-methylpropan-2-yl group at position 1 and a {N-[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-L-norvalyl}amino group at position 4. It is a gamma-secretase inhibitor whose hydrobromide salt is indicated for adult patients with progressing desmoid tumours who require systemic treatment.


CYT3_MOUSE Stefin-3 (sprot)

A stefin-3 that is encoded in the genome of mouse.


P2RY2_RAT P2Y purinoceptor 2 (sprot)

A P2Y purinoceptor 2 that is encoded in the genome of rat.


myristic acid

A straight-chain, fourteen-carbon, long-chain saturated fatty acid mostly found in milk fat.


name: PTGR1_RAT Prostaglandin reductase 1 (sprot)

description: A prostaglandin reductase 1 that is encoded in the genome of rat.


name: ITF2_HUMAN Transcription factor 4 (sprot)

description: A transcription factor 4 that is encoded in the genome of human.


name: Dibenz(b,f)(1,4)oxazepine-10(11H)-carboxylic acid, 8-chloro-, 2-(3-(ethylsulfonyl)-1-oxopropyl)hydrazide


name: [(2R,3S,4R,5R)-3,4-dihydroxy-5-purin-9-yloxolan-2-yl]methyl [(2-hydroxybenzoyl)amino] hydrogen phosphate


name: benzamido [(2R,3S,4R,5R)-3,4-dihydroxy-5-purin-9-yloxolan-2-yl]methyl hydrogen phosphate


pevonedistat

A pyrrolopyrimidine that is 7H-pyrrolo[2,3-d]pyrimidine which is substituted by a (1S)-2,3-dihydro-1H-inden-1-ylnitrilo group at position 4 and by a (1S,3S,4S)-3-hydroxy-4-[(sulfamoyloxy)methyl]cyclopentyl group at position 7. It is a potent and selective NEDD8-activating enzyme inhibitor with an IC50 of 4.7 nM, and currently under clinical investigation for the treatment of acute myeloid leukemia (AML) and myelodysplastic syndromes.


name: UBA3_HUMAN NEDD8-activating enzyme E1 catalytic subunit (sprot)

description: A NEDD8-activating enzyme E1 catalytic subunit that is encoded in the genome of human.


name: ACPM_BOVIN Acyl carrier protein, mitochondrial (sprot)

description: An acyl carrier protein, mitochondrial that is encoded in the genome of cow.


name: SDHB_ZYMTR Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial (sprot)


A member of the class of benzamides obtained by formal condensation of the carboxy group of 2-fluorobenzoic acid with the amino group of 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile.


PIERICIDIN A

A member of the class of monohydroxypyridines that acts as an irreversible mitochondrial Complex I inhibitor that strongly associates with ubiquinone binding sites in both mitochondrial and bacterial forms of NADH:ubiquinone oxidoreductase


A thiopurine that is inosine in which the aromatic hydroxy group is replaced by a methylsulfanediyl group.


SWERTIFRANCHESIDE

A ring assembly that is a dimer obtained by coupling between 1,5,8-trihydroxy-3-methoxy-9H-xanthen-9-one and C-glycosylated 5,7,3',4'-tetrahydroxyflavone. Isolated from Swertia franchetiana, it exhibits anti-HIV activity.


name: KCMA1_RAT Calcium-activated potassium channel subunit alpha-1 (sprot)

description: A calcium-activated potassium channel subunit alpha-1 that is encoded in the genome of rat.


DEAMINOHYDROXYVALINE

The R-enantiomer of 2-hydroxy-3-methylbutyric acid.


(S)-2-hydroxy-3-methylbutyric acid

The S-enantiomer of 2-hydroxy-3-methylbutyric acid. It is used as a chiral building block for peptide synthesis.


(R)-2-methylbutyric acid

The (R)-enantiomer of 2-methylbutanoic acid.


(S)-2-methylbutyric acid

The (S)-enantiomer of 2-methylbutanoic acid.


β-D-hydroxybutyric acid

The R-enantiomer of 3-hydroxybutyric acid. Involved in the synthesis and degradation of ketone bodies, it can be used as an energy source by the brain during hypoglycaemia, and for the synthesis of biodegradable plastics. It is a sex pheremone in the European spider Linyphia triangularis.


CRYPTOLEPINE

An organic heterotetracyclic compound that is 5H-indolo[3,2-b]quinoline in which the hydrogen at position N-5 is replaced by a methyl group.


thymonin

A  trimethoxyflavone that is flavone substituted by methoxy groups at positions 7, 8 and 3' and hydroxy groups at positions 5, 6 and 4'.


CIRSILENEOL

A trimethoxyflavone that is flavone substituted by methoxy groups at positions 6, 7 and 3' and hydroxy groups at positions 5 and 4' respectively.


A dimethoxyflavone that is the 3,7-di-O-methyl derivative of quercetagetin.


CHRYSOSPLENOL D

A trimethoxyflavone that is the 3,6,7-trimethyl ether derivative of quercetagetin.


pedalitin

A tetrahydroxy-monohydroxy-flavone, with the four hydroxy groups at C-3',-4',-5 and 6, and the methoxy group at C-7.  It has been isolated from a number of plant species, including Eremosparton songoricum, Rabdosia japonica and Ruellia tuberosa.


A pentahydroxyflavone that is luteolin with an additional hydroxy group at position 6.


name: TRPV1_CAVPO Transient receptor potential cation channel subfamily V member 1 (sprot)

description: A transient receptor potential cation channel TRPV1 that is encoded in the genome of guinea pig.


name: SSPA_STAAU Glutamyl endopeptidase (sprot)

description: A protein that is a translation product of the sspA gene in Staphylococcus aureus.


N-palmitoylethanolamine

An N-(long-chain-acyl)ethanolamine that is the ethanolamide of palmitic (hexadecanoic) acid.


name: NPSR1_MOUSE Neuropeptide S receptor (sprot)

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


name: GHSR_RABIT Growth hormone secretagogue receptor type 1 (sprot)

description: A growth hormone secretagogue receptor that is encoded in the genome of rabbit.


pilsicainide

A secondary carboxamide resulting from the formal condensation of the amino group of 2,6-dimethylaniline with the carboxy group of (tetrahydro-1H-pyrrolizin-7a(5H)-yl)acetic acid. It is a sodium channel blocker which is used as an antiarrhythmic drug for the management of atrial tachyarrhythmias in Japan.


name: HIF1A_MOUSE Hypoxia-inducible factor 1-alpha (sprot)

description: A hypoxia-inducible factor 1-alpha that is encoded in the genome of mouse.


ECR_DROME Ecdysone receptor (sprot)

A protein that is a translation product of the EcR gene in fruit fly.


An  oxysterol that is cholesterol substituted  by hydroxy groups at positions 20 and 22 (the 20R,22R-stereoisomer).


name: CGOX_BACSU Coproporphyrinogen III oxidase (sprot)

description: A protoporphyrinogen oxidase that is encoded in the genome of Bacillus subtilis subsp. subtilis str. 168.


name: 2-Isopropyl-6-oxo-5-(2-pyridin-4-yl-thiazol-4-yl)-1,6-dihydro-pyridine-3-carboxylic acid 2-pyrrolidin-1-yl-ethyl ester


name: 2-Isopropyl-6-oxo-5-(2-pyridin-4-yl-thiazol-4-yl)-1,6-dihydro-pyridine-3-carboxylic acid 2-diethylamino-ethyl ester


name: 2-Isopropyl-6-oxo-5-(2-pyridin-4-yl-thiazol-4-yl)-1,6-dihydro-pyridine-3-carboxylic acid 1-methyl-piperidin-4-yl ester


name: GPBAR_RAT G-protein coupled bile acid receptor 1 (sprot)

description: A G-protein coupled bile acid receptor 1 that is encoded in the genome of rat.


A member of the class of oxindoles that is 5-chlorooxindole in which the two hydrogens at position 3 are replaced by a (3,5-dimethylpyrrol-2-yl)methylidene group.


name: PPP6_HUMAN Serine/threonine-protein phosphatase 6 catalytic subunit (sprot)

description: A serine/threonine-protein phosphatase 6 catalytic subunit that is encoded in the genome of human.


molybdate

A divalent inorganic anion obtained by removal of both protons from molybdic acid


dimethylamine

A secondary aliphatic amine where both N-substituents are methyl.


trimethylamine

A tertiary amine that is ammonia in which each hydrogen atom is substituted by an methyl group.


name: UBP5_HUMAN Ubiquitin carboxyl-terminal hydrolase 5 (sprot)

description: A ubiquitin carboxyl-terminal hydrolase 5 that is encoded in the genome of human.


name: Ergoline-8-methanol, 9,10-didehydro-6-methyl-, cyclobutanecarboxylate (ester), (8I(2))-


name: SIR7_HUMAN NAD-dependent protein deacetylase sirtuin-7 (sprot)

description: An NAD-dependent protein deacetylase sirtuin-7 that is encoded in the genome of human.


name: IL2RA_HUMAN Interleukin-2 receptor subunit alpha (sprot)

description: An interleukin-2 receptor subunit alpha that is encoded in the genome of human.


IL18_HUMAN Interleukin-18 (sprot)

An interleukin-18 that is encoded in the genome of human.


name: TNFA_MOUSE Tumor necrosis factor (sprot)

description: A tumor necrosis factor that is encoded in the genome of mouse.


O-(cyclohexanecarbonyl)lysergol

Lysergol esterified with cyclohexanecarboxylic acid.


name: IL1R1_HUMAN Interleukin-1 receptor type 1 (sprot)

description: An interleukin-1 receptor type 1 that is encoded in the genome of human.


IL33_HUMAN Interleukin-33 (sprot)

An interleukin-33 that is encoded in the genome of human.


name: IL36G_HUMAN Interleukin-36 gamma (sprot)

description: An interleukin-1 family member 9 that is encoded in the genome of human.


IL4_HUMAN Interleukin-4 (sprot)

An interleukin-4 that is encoded in the genome of human.


name: cyclobutanecarboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester


name: 2-naphthalenecarboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester


name: 4-fluorobenzoic acid 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]but-2-ynyl ester


name: 4-fluorobenzoic acid 4-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester


name: 4-fluorobenzoic acid 4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester


name: 4-fluorobenzoic acid 4-[[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester


name: 4-fluorobenzoic acid 4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thio]but-2-ynyl ester


name: 4-fluorobenzoic acid 4-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester


name: 4-fluorobenzoic acid 4-[[5-(5-quinolinyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester


name: 4-fluorobenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]butyl ester


name: 3-(trifluoromethyl)benzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester


name: 4-chloro-3-(trifluoromethyl)benzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester


name: 4-(dimethylamino)benzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester


name: cyclopropanecarboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester


name: 2-benzofurancarboxylic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester


name: 3,4,5-trifluorobenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester


name: 2-methoxybenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester


name: 4-methylsulfonylbenzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester


name: 2-Chloro-5-{2-methoxy-6-[2-(4-methoxy-phenyl)-ethylamino]-pyrimidin-4-yl)-benzoic acid ethyl ester


VALERENIC ACID

A monocarboxylic acid that is 2-methylprop-2-enoic acid which is substituted at position 3 by a 3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl group. A bicyclic sesquiterpenoid constituent of the essential oil of the Valerian plant.


ecgonine methyl ester

The O-debenzoyl analogue of cocaine.