name: MAP2_HUMAN Methionine aminopeptidase 2 (sprot)

description: A methionine aminopeptidase 2 that is encoded in the genome of human.


O-CHLOROACETYLCARBAMOYLFUMAGILLOL

A carbamate ester that is fumagillol in which the hydroxy group has been converted to the corresponding N-(chloroacetyl)carbamate derivative.


name: MAP11_HUMAN Methionine aminopeptidase 1 (sprot)

description: A methionine aminopeptidase 1 that is encoded in the genome of human.


name: 5,6-Disubstituted anthranilic acid sulfonamide, 9b


name: 5,6-Disubstituted anthranilic acid sulfonamide, 9d


name: 5,6-Disubstituted anthranilic acid sulfonamide, 9e


name: 5,6-Disubstituted anthranilic acid sulfonamide, 9f


name: 5,6-Disubstituted anthranilic acid sulfonamide, 9g


name: 5,6-Disubstituted anthranilic acid sulfonamide, 9h


name: 5,6-Disubstituted anthranilic acid sulfonamide, 9i


name: 5,6-Disubstituted anthranilic acid sulfonamide, 9j


name: 5,6-Disubstituted anthranilic acid sulfonamide, 9k


name: 5,6-Disubstituted anthranilic acid sulfonamide, 9l


name: 5,6-Disubstituted anthranilic acid sulfonamide, 9m


name: 5,6-Disubstituted anthranilic acid sulfonamide, 9n


name: 5,6-Disubstituted anthranilic acid sulfonamide, 9o


name: 5,6-Disubstituted anthranilic acid sulfonamide, 16a


name: 5,6-Disubstituted anthranilic acid sulfonamide, 17b


name: 5,6-Disubstituted anthranilic acid sulfonamide, 19a


name: 5,6-Disubstituted anthranilic acid sulfonamide, 19c


name: 5,6-Disubstituted anthranilic acid sulfonamide, 19d


name: 5,6-Disubstituted anthranilic acid sulfonamide, 19e


name: 5,6-Disubstituted anthranilic acid sulfonamide, 19f


name: 5,6-Disubstituted anthranilic acid sulfonamide, 19g


name: 5,6-Disubstituted anthranilic acid sulfonamide, 19h


name: 5,6-Disubstituted anthranilic acid sulfonamide, 19i


flufenamic acid

An aromatic amino acid consisting of anthranilic acid carrying an N-(trifluoromethyl)phenyl substituent. An analgesic and anti-inflammatory, it is used in rheumatic disorders.


indomethacin

A member of the class of indole-3-acetic acids that is indole-3-acetic acid in which the indole ring is substituted at positions 1, 2 and 5 by p-chlorobenzoyl, methyl, and methoxy groups, respectively. A non-steroidal anti-inflammatory drug, it is used in the treatment of musculoskeletal and joint disorders including osteoarthritis, rheumatoid arthritis, gout, bursitis and tendinitis.


L-glutamic acid

An optically active form of glutamic acid having L-configuration.


name: FOLH1_HUMAN Glutamate carboxypeptidase 2 (sprot)

description: A glutamate carboxypeptidase 2 that is encoded in the genome of human.


(S)-WILLARDIINE

The 3-(uracil-1-yl) derivative of L-alanine.


L-serine O-sulfate

A non-proteinogenic L-alpha-amino acid that is the O-sulfo derivative of L-serine.


L-serine-O-phosphate

The L-enantiomer of O-phosphoserine.


name: CSF1R_HUMAN Macrophage colony-stimulating factor 1 receptor (sprot)

description: A macrophage colony-stimulating factor 1 receptor that is encoded in the genome of human.


name: ACK1_HUMAN Activated CDC42 kinase 1 (sprot)

description: An activated CDC42 kinase 1 that is encoded in the genome of human.


name: ZAP70_MOUSE Tyrosine-protein kinase ZAP-70 (sprot)

description: A tyrosine-protein kinase ZAP-70 that is encoded in the genome of mouse.


name: BTK_HUMAN Tyrosine-protein kinase BTK (sprot)

description: A tyrosine-protein kinase BTK that is encoded in the genome of human.


name: Pentanedioic acid, 2-(3-mercaptopropyl)-, (2R)-


RENI_HUMAN Renin (sprot)

A renin that is encoded in the genome of human.


name: MAP1_ECOLI Methionine aminopeptidase (sprot)

description: A methionine aminopeptidase that is encoded in the genome of Escherichia coli K-12.


name: MAP1_STAAW Methionine aminopeptidase (sprot)


aliskiren

A monomethoxybenzene compound having a 3-methoxypropoxy group at the 2-position and a multi-substituted branched alkyl substituent at the 4-position.


name: DYR_CANAX Dihydrofolate reductase (sprot)


name: DYR_HUMAN Dihydrofolate reductase (sprot)

description: A dihydrofolate reductase that is encoded in the genome of human.


name: DYR_ECOLI Dihydrofolate reductase (sprot)

description: A dihydrofolate reductase folA that is encoded in the genome of Escherichia coli K-12.


trimethoprim

An aminopyrimidine antibiotic whose structure consists of pyrimidine 2,4-diamine and 1,2,3-trimethoxybenzene moieties linked by a methylene bridge.


iclaprim

An aminopyrimidine that is 5-methylpyrimidine-2,4-diamine in which one of the hydrogens of the methyl group has been replaced by a 2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl group.


name: DYR_STAAU Dihydrofolate reductase (sprot)

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


name: DYR_STRPN Dihydrofolate reductase (sprot)


name: DYR_PNECA Dihydrofolate reductase (sprot)


name: SYFA_STAAU Phenylalanine--tRNA ligase alpha subunit (sprot)


name: SYFA_STRPN Phenylalanine--tRNA ligase alpha subunit (sprot)


name: SYFA_HAEIN Phenylalanine--tRNA ligase alpha subunit (sprot)


name: SYE_ECOLI Glutamate--tRNA ligase (sprot)

description: A glutamate--tRNA ligase that is encoded in the genome of Escherichia coli K-12.


name: SYQ_ECOLI Glutamine--tRNA ligase (sprot)

description: A glutamine--tRNA ligase that is encoded in the genome of Escherichia coli K-12.


name: SYQ_BOVIN Glutamine--tRNA ligase (sprot)


name: SYEM_MOUSE Nondiscriminating glutamyl-tRNA synthetase EARS2, mitochondrial (sprot)

description: A nondiscriminating glutamyl-tRNA synthetase EARS2, mitochondrial that is encoded in the genome of mouse.


name: SYD_ECOLI Aspartate--tRNA ligase (sprot)

description: An aspartate--tRNA ligase that is encoded in the genome of Escherichia coli K-12.


SYY_STAA8 Tyrosine--tRNA ligase (sprot)

A tyrosyl-tRNA synthetase that is encoded in the genome of Staphylococcus aureus subsp. aureus NCTC 8325.


ATP

An adenosine 5'-phosphate in which the 5'-phosphate is a triphosphate group. It is involved in the transportation of chemical energy during metabolic pathways.


adenosine 5'-monophosphate

A purine ribonucleoside 5'-monophosphate having adenine as the nucleobase.


L-2-aminoheptanoic acid

An optically active form of 2-aminoheptanoic acid having L-configuration.


name: SYI_ECOLI Isoleucine--tRNA ligase (sprot)

description: An isoleucine--tRNA ligase that is encoded in the genome of Escherichia coli K-12.


dihydrotestosterone

A 17beta-hydroxy steroid that is testosterone in which the 4,5 double bond has been reduced to a single bond with alpha-configuration at position 5.


ANDR_HUMAN Androgen receptor (sprot)

An androgen receptor that is encoded in the genome of human.


name: PRGR_HUMAN Progesterone receptor (sprot)

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


name: GCR_HUMAN Glucocorticoid receptor (sprot)

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


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


DYR_RAT Dihydrofolate reductase (sprot)

A dihydrofolate reductase that is encoded in the genome of rat.


An optically active form of 2-(hydroxymethyl)piperidine-3,4,5-triol having 2R,3R,4R,5S-configuration.


name: GBA1_HUMAN Lysosomal acid glucosylceramidase (sprot)

description: A lysosomal acid glucosylceramidase that is encoded in the genome of human.


A hydroxypiperidine that is duvoglustat in which the amino hydrogen is replaced by a methyl group. It is an inhibitor of alpha-glucosidase, an agonist of the glucose sensor SGLT3 and exhibits anti-HIV activity.


miglustat

A hydroxypiperidine that is deoxynojirimycin in which the amino hydrogen is replaced by a butyl group.


N-nonyldeoxynojirimycin

A hydroxypiperidine that is deoxynojirimycin (duvoglustat) in which the amino hydrogen is replaced by a nonyl group.


name: LYOX_HUMAN Protein-lysine 6-oxidase (sprot)

description: A protein-lysine 6-oxidase that is encoded in the genome of human.


rosuvastatin

A dihydroxy monocarboxylic acid that is (6E)-7-{4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl} hept-6-enoic acid carrying two hydroxy substituents at positions 3 and 5 (the 3R,5S-diastereomer).


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

description: A 3-hydroxy-3-methylglutaryl-coenzyme A reductase that is encoded in the genome of rat.


cerivastatin

(3R,5S)-3,5-dihydroxyhept-6-enoic acid in which the (7E)-hydrogen is substituted by a 4-(4-fluorophenyl)-2,6-diisopropyl-5-(methoxymethyl)pyridin-3-yl group. Formerly used (as its sodium salt) to lower cholesterol and prevent cardiovascular disease, it was withdrawn from the market worldwide in 2001 following reports of a severe form of muscle toxicity.


bicalutamide

A member of the class of (trifluoromethyl)benzenes that is 4-amino-2-(trifluoromethyl)benzonitrile in which one of the amino hydrogens is substituted by a 3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanoyl group.


name: GBRA5_HUMAN Gamma-aminobutyric acid receptor subunit alpha-5 (sprot)

description: A gamma-aminobutyric acid receptor subunit alpha-5 that is encoded in the genome of human.


dexamethasone

A fluorinated steroid that is 9-fluoropregna-1,4-diene substituted by hydroxy groups at positions 11, 17 and 21, a methyl group at position 16 and oxo groups at positions 3 and 20. It is a synthetic member of the class of  glucocorticoids.


name: MCR_HUMAN Mineralocorticoid receptor (sprot)

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


ANDR_RAT Androgen receptor (sprot)

An androgen receptor that is encoded in the genome of rat.


PRGR_RAT Progesterone receptor (sprot)

A progesterone receptor that is encoded in the genome of rat.


(R)-BICALUTAMIDE

A N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide that is the (R)-enantiomer of bicalutamide.


name: BMC146525 arylisothiocyanato derivative, R-37


(S)-BICALUTAMIDE

A N-[4-cyano-3-(trifluoromethyl)phenyl]-3-[(4-fluorophenyl)sulfonyl]-2-hydroxy-2-methylpropanamide that is the (S)-enantiomer of bicalutamide.


name: Thioacetic acid S-[6-(2-methoxyphenyl)-2,2-dimethyl-1,2-dihydroquinolin-4-ylmethyl] ester


TYSY_CRYNB Thymidylate synthase (sprot)

A protein that is a translation product of the TMP1 gene in Cryptococcus neoformans var. neoformans B-3501A.


TYSY_ECOLI Thymidylate synthase (sprot)

A thymidylate synthase that is encoded in the genome of Escherichia coli K-12.


TYSY_HUMAN Thymidylate synthase (sprot)

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


pyrimethamine

An aminopyrimidine that is pyrimidine-2,4-diamine which is substituted at position 5 by a p-chlorophenyl group and at position 6 by an ethyl group. It is a folic acid antagonist used as an antimalarial or with a sulfonamide to treat toxoplasmosis.


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


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


cycloguanil

A triazine in which a 1,6-dihydro-1,3,5-triazine ring is substituted at N-1 by a 4-chlorophenyl group, at C-2 and -4 by amino groups and at C-6 by gem-dimethyl groups. A dihydrofolate reductase inhibitor, it is a metabolite of the antimalarial drug proguanil.


name: THA_HUMAN Thyroid hormone receptor alpha (sprot)

description: A thyroid hormone receptor alpha that is encoded in the genome of human.


name: THB_HUMAN Thyroid hormone receptor beta (sprot)

description: A thyroid hormone receptor beta that is encoded in the genome of human.


triiodothyronine

An iodothyronine compound having iodo substituents at the 3-, 3'- and 5-positions. Although some is produced in the thyroid, most of the 3,3',5-triiodo-L-thyronine in the body is generated by mono-deiodination of L-thyroxine in the peripheral tissues. Its metabolic activity is about 3 to 5 times that of L-thyroxine. The sodium salt is used in the treatment of hypothyroidism.


tiratricol

A monocarboxylic acid that is (4-hydroxy-3,5-diiodophenyl)acetic acid in which the phenolic hydroxy group has been replaced by a 4-hydroxy-3-iodophenoxy group. It is a thyroid hormone analogue that has been used in the treatment of thyroid hormone resistance syndrome.


name: THA_CHICK Thyroid hormone receptor alpha (sprot)

description: A thyroid hormone receptor alpha that is encoded in the genome of chicken.


name: THB_RAT Thyroid hormone receptor beta (sprot)

description: A thyroid hormone receptor beta that is encoded in the genome of rat.


apixaban

A pyrazolopyridine that is 7-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxamide substituted at position 1 by a 4-methoxyphenyl group and at position 6 by a 4-(2-oxopiperidin-1-yl)phenyl group. It is used for the prevention and treatment of thromboembolic diseases.


name: Pyrazole-based inhibitor containing N-arylpiperidiny, 16a


name: Pyrazole-based inhibitor containing N-arylpiperidiny, 16i


ITB1_HUMAN Integrin beta-1 (sprot)

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


name: prolyl-2,3-diaminopropionic acid (DAP) scaffold, 19


name: prolyl-2,3-diaminopropionic acid (DAP) scaffold, 20


name: prolyl-2,3-diaminopropionic acid (DAP) scaffold, 21


name: prolyl-2,3-diaminopropionic acid (DAP) scaffold, 22


name: prolyl-2,3-diaminopropionic acid (DAP) scaffold, 25


name: prolyl-2,3-diaminopropionic acid (DAP) scaffold, 26


name: prolyl-2,3-diaminopropionic acid (DAP) scaffold, 27


name: prolyl-2,3-diaminopropionic acid (DAP) scaffold, 28


name: prolyl-2,3-diaminopropionic acid (DAP) scaffold, 29


name: prolyl-2,3-diaminopropionic acid (DAP) scaffold, 30


name: prolyl-2,3-diaminopropionic acid (DAP) scaffold, 31


name: prolyl-2,3-diaminopropionic acid (DAP) scaffold, 32


name: HDAC6_MOUSE Histone deacetylase 6 (sprot)

description: A histone deacetylase 6 that is encoded in the genome of mouse.


name: HDAC1_HUMAN Histone deacetylase 1 (sprot)

description: A histone deacetylase 1 that is encoded in the genome of human.


name: HDAC4_HUMAN Histone deacetylase 4 (sprot)

description: A histone deacetylase 4 that is encoded in the genome of human.


vorinostat

A dicarboxylic acid diamide comprising suberic (octanedioic) acid coupled to aniline and  hydroxylamine. A histone deacetylase inhibitor, it is marketed under the name Zolinza for the treatment of cutaneous T cell lymphoma (CTCL).


romidepsin

A cyclodepsipeptide consisting of the cyclic disulfide of (2Z)-2-aminobut-2-enoyl, L-valyl, (3S,4E)-3-hydroxy-7-sulfanylhept-4-enoyl, D-valyl and D-cysteinyl residues coupled in sequence and cyclised head-to tail.


prednisolone

A glucocorticoid that is prednisone in which the oxo group at position 11 has been reduced to the corresponding beta-hydroxy group. It is a drug metabolite of prednisone.


GCR_RAT Glucocorticoid receptor (sprot)

A glucocorticoid receptor that is encoded in the genome of rat.


name: IMDH1_HUMAN Inosine-5'-monophosphate dehydrogenase 1 (sprot)

description: An inosine-5'-monophosphate dehydrogenase 1 that is encoded in the genome of human.


mycophenolic acid

A member of the class of 2-benzofurans that is 2-benzofuran-1(3H)-one which is substituted at positions 4, 5, 6, and 7 by methyl, methoxy, (2E)-5-carboxy-3-methylpent-2-en-1-yl, and hydroxy groups, respectively. It is an antibiotic produced by Penicillium brevi-compactum, P. stoloniferum, P. echinulatum and related species. An immunosuppressant, it is widely used (partiularly as its sodium salt and as the 2-(morpholin-4-yl)ethyl ester prodrug, mycophenolate mofetil) to prevent tissue rejection following organ transplants and for the treatment of certain autoimmune diseases.


name: IMDH2_HUMAN Inosine-5'-monophosphate dehydrogenase 2 (sprot)

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


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

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


entinostat

A member of the class of benzamides resulting from the formal condensation of the carboxy group of the pyridin-3-ylmethyl carbamate derivative of p-(aminomethyl)benzoic acid with one of the amino groups of benzene-1,2-diamine. It is an inhibitor of histone deacetylase isoform 1 (HDAC1) and isoform 3 (HDAC3).


name: HDAC2_HUMAN Histone deacetylase 2 (sprot)

description: A histone deacetylase 2 that is encoded in the genome of human.


tacedinaline

A benzamide obtained by formal condensation of the carboxy group of 4-acetamidobenzoic acid with one of the amino groups of 1,2-phenylenediamine. An oral cytostatic drug with impressive differential activity against leukemic cells and normal stem-cells. Also used in combination therapy for selected tumors including non-smoll cell lung, pancreatic, breast, and colorectal cancers.


name: HDAC3_HUMAN Histone deacetylase 3 (sprot)

description: A histone deacetylase 3 that is encoded in the genome of human.


name: HDAC8_HUMAN Histone deacetylase 8 (sprot)

description: A histone deacetylase 8 that is encoded in the genome of human.


raloxifene

A member of the class of 1-benzothiophenes that is 1-benzothiophene in which the hydrogens at positions 2, 3, and 6 have been replaced by p-hydroxyphenyl, p-[2-(piperidin-1-yl)ethoxy]benzoyl, and hydroxy groups, respectively.


name: ESR2_HUMAN Estrogen receptor beta (sprot)

description: An estrogen receptor beta that is encoded in the genome of human.


estradiol

The 17beta-isomer of estradiol.


genistein

A 7-hydroxyisoflavone with additional hydroxy groups at positions 5 and 4'. It is a phytoestrogenic isoflavone with antioxidant properties.


sophoraflavanone B

A trihydroxyflavanone that is (S)-naringenin having a prenyl group at position 8.


naringenin

A trihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5, 6 and 4'.


CATK_HUMAN Cathepsin K (sprot)

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


CATL1_HUMAN Procathepsin L (sprot)

A procathepsin L that is encoded in the genome of human.


CATB_HUMAN Cathepsin B (sprot)

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


CATK_RABIT Cathepsin K (sprot)

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


CATL2_HUMAN Cathepsin L2 (sprot)

A cathepsin L2 that is encoded in the genome of human.


CATK_RAT Cathepsin K (sprot)

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


CATS_MOUSE Cathepsin S (sprot)

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


estrone

A 17-oxo steroid that is estra-1,3,5(10)-triene substituted by an hydroxy group at position 3 and an oxo group at position 17.


name: (2S, 3aS, 4R, 9bR)-4-(4-Hydroxy-phenyl)-2-trifluoromethyl-1,2,3,3a,4,9b-hexahydro-cyclopenta[c]chromen-8-ol


name: NR1H3_HUMAN Oxysterols receptor LXR-alpha (sprot)

description: An oxysterols receptor LXR-alpha that is encoded in the genome of human.


name: NR1H2_HUMAN Oxysterols receptor LXR-beta (sprot)

description: An oxysterols receptor LXR-beta that is encoded in the genome of human.


name: TYPH_HUMAN Thymidine phosphorylase (sprot)

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


name: TYPH_ECOLI Thymidine phosphorylase (sprot)

description: A thymidine phosphorylase that is encoded in the genome of Escherichia coli K-12.


tipiracil

A member of the class of pyrimidones that is uracil substituted by chloro and (2-iminopyrrolidin-1-yl)methyl groups at positions 5 and 6 respectively. Used (as the hydrochloride salt) in combination with trifluridine, a nucleoside metabolic inhibitor, for treatment of advanced/relapsed unresectable colorectal cancer.


name: Carbamic acid, [2-[(cyanomethyl)amino]-1-methyl-2-oxoethyl]-, 1,1-dimethylethyl ester, (s)-


CATL1_BOVIN Procathepsin L (sprot)

A cathepsin L2 that is encoded in the genome of cow.


24(S), 25-epoxycholesterol

A 3beta-hydroxy-Delta(5)-steroid that is desmosterol in which the double bond at position 24-25 has been oxidised to the corresponding epoxide (the 24S diastereoisomer). It is an oxysterol agonist of the liver X receptor.


An oxysterol that is cholesterol substituted by a hydroxy group at position 20.


An oxysterol that is the 22R-hydroxy derivative of cholesterol.


A 24-hydroxycholesterol that has S configuration at position 24. It is the major metabolic breakdown product of cholesterol in the brain.


A 24-hydroxycholesterol that has R configuration at position 24.


A 26-hydroxycholesterol in which the 25-position has R-configuration.


name: CHOL-5-EN-24-oic acid, 3-hydroxy-, methyl ester, (3beta)-


name: STAT3_MOUSE Signal transducer and activator of transcription 3 (sprot)

description: A signal transducer and activator of transcription 3 that is encoded in the genome of mouse.


name: STAT1_HUMAN Signal transducer and activator of transcription 1-alpha/beta (sprot)

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


An amidobenzoic acid obtained by formal condensation of the carboxy group of [(4-methylbenzene-1-sulfonyl)oxy]acetic acid with the amino group of 4-amino-2-hydroxybenzoic acid.


capsazepine

A benzazepine that is 2,3,4,5-tetrahydro-1H-2-benzazepine which is substituted by hydroxy groups at positions 7 and 8 and on the nitrogen atom by a 2-(p-chlorophenyl)ethylaminothiocarbonyl group. A synthetic analogue of capsaicin, it was the first reported capsaicin receptor antagonist.


name: TRPV1_RAT 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 rat.


name: TRPV1_HUMAN 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 human.


lasofoxifene

A member of the class of tetralins that is 5,6,7,8-tetrahydronaphthalen-2-ol in which the hydrogens at positions 5 and 6 are replaced by 4-[2-(pyrrolidin-1-yl)ethoxy]phenyl and phenyl groups, respectively (the 5R,6S-stereoisomer). It is a selective estrogen receptor modulator indicated for the prevention and treatment of osteoporosis in post-menopausal women.


AFIMOXIFENE

A tertiary amino compound that is tamoxifen in which the phenyl group which is in a Z- relationship to the ethyl substituent is hydroxylated at the para- position. It is the active metabolite of tamoxifen.


An estradiol that is estra-1,3,5(10)-triene substituted by hydroxy groups at positions 3 and 17 (the 17alpha stereoisomer).


diethylstilbestrol

An olefinic compound that is trans-hex-3-ene in which the hydrogens at positions 3 and 4 have been replaced by p-hydroxyphenyl groups.


pravastatin

A carboxylic ester resulting from the formal condensation of (S)-2-methylbutyric acid with the hydroxy group adjacent to the ring junction of (3R,5R)-7-[(1S,2S,6S,8S,8aR)-6,8-dihydroxy-2-methyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid. Derived from microbial transformation of mevastatin, pravastatin is a reversible inhibitor of 3-hydroxy-3-methylglutaryl-coenzyme A (HMG-CoA). The sodium salt is used for lowering cholesterol and preventing cardiovascular disease. It is one of the lower potency statins, but has the advantage of fewer side effects compared with lovastatin and simvastatin.


name: DGAT1_HUMAN Diacylglycerol O-acyltransferase 1 (sprot)

description: A diacylglycerol O-acyltransferase 1 that is encoded in the genome of human.


name: DGAT1_MOUSE Diacylglycerol O-acyltransferase 1 (sprot)

description: A diacylglycerol O-acyltransferase 1 that is encoded in the genome of mouse.


name: HS90A_HUMAN Heat shock protein HSP 90-alpha (sprot)

description: A heat shock protein HSP 90-alpha that is encoded in the genome of human.


name: Acetic acid 2-[6-amino-8-(7-chloro-benzothiazol-2-ylsulfanyl)-purin-9-yl]-ethyl ester


A member of the class of 2-aminopurines that is 2-aminopurine which is substituted by a chlorine at position 6 and by a (4-methoxy-3,5-dimethylpyridin-2-yl)methyl group at position 9.


phlorizin

An aryl beta-D-glucoside that is  phloretin attached to a  beta-D-glucopyranosyl residue at position 2' via a glycosidic linkage.


name: SC5A2_HUMAN Sodium/glucose cotransporter 2 (sprot)

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


dapagliflozin

A C-glycosyl comprising beta-D-glucose in which the anomeric hydroxy group is replaced by a 4-chloro-3-(4-ethoxybenzyl)phenyl group. Used (in the form of its propanediol monohydrate) to improve glycemic control, along with diet and exercise, in adults with type 2 diabetes.


name: SC5A1_HUMAN Sodium/glucose cotransporter 1 (sprot)

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


name: CRFR1_RAT Corticotropin-releasing factor receptor 1 (sprot)

description: A corticotropin-releasing factor receptor 1 that is encoded in the genome of rat.


name: OPRD_HUMAN Delta-type opioid receptor (sprot)

description: A delta-type opioid receptor that is encoded in the genome of human.


DPDPE

A heterodetic cyclic peptide that is a cyclic enkephalin analogue, having D-penicillaminyl residues located at positions 2 and 5, which form the heterocycle via a disulfide bond.


name: OPRM_RAT Mu-type opioid receptor (sprot)

description: A mu-type opioid receptor that is encoded in the genome of rat.


NK1R_HUMAN Substance-P receptor (sprot)

A substance-P receptor that is encoded in the genome of human.


NK1R_RAT Substance-P receptor (sprot)

A substance-P receptor that is encoded in the genome of rat.


name: PK3CB_HUMAN Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (sprot)

description: A phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform that is encoded in the genome of human.


name: P85B_HUMAN Phosphatidylinositol 3-kinase regulatory subunit beta (sprot)

description: A phosphatidylinositol 3-kinase regulatory subunit beta that is encoded in the genome of human.


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

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


linifanib

A member of the class of phenylureas that is urea in which one of the nitrogens is substituted by a 2-fluoro-5-methylphenyl group, while the other is substituted by a p-(3-amino-1H-indazol-4-yl)phenyl group. It is a potent, selective inhibitor of vascular endothelial growth factor and platelet-derived growth factor receptor tyrosine kinases.


CARBOXYFENTANYL

The dicarboxylic acid monoamide resulting from the formal condensation of aryl amino group of N-phenyl-1-(2-phenylethyl)piperidin-4-amine with succinic acid.


name: OPRK_CAVPO Kappa-type opioid receptor (sprot)

description: A kappa-type opioid receptor that is encoded in the genome of guinea pig.


name: CCKAR_HUMAN Cholecystokinin receptor type A (sprot)

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


name: GASR_HUMAN Gastrin/cholecystokinin type B receptor (sprot)

description: A cholecystokinin receptor 2 that is encoded in the genome of human.


An ether that is 2-(1H-imidazol-1-yl)-1-(4-methoxyphenyl)ethanol in which the hydrogen of the hydroxy group has been substituted by a 3-(4-methoxyphenyl)propyl group.


BROMUCONAZOLE

A member of the class of oxolanes carrying 1,2,4-triazol-ylmethyl and 2,4-dichlorophenyl substituents at position 2 as well as a bromo substituent at position 4.  A foliar applied conazole fungicide for a range of crops including cereals, fruit, vegetables and vines.


ETACONAZOLE

A member of the class of dioxolanes that is 1,3-dioxolane substituted at position 2 by 2,4-dichlorophenyl and 1,2,4-triazol-1-ylmethyl groups and at position 4 by an ethyl group. An obsolete fungicide that was used to control powdery mildew on fruit and other crops.


CP2C9_HUMAN Cytochrome P450 2C9 (sprot)

A cytochrome P450 2C9 that is encoded in the genome of human.


name: AA1R_HUMAN Adenosine receptor A1 (sprot)

description: An adenosine receptor A1 that is encoded in the genome of human.


DPCPX

An oxopurine that is 7H-xanthine substituted at positions 1 and 3 by propyl groups and at position 8 by a cyclohexyl group.


name: AA2AR_HUMAN Adenosine receptor A2a (sprot)

description: An adenosine receptor A2a that is encoded in the genome of human.


name: KCNH2_HUMAN Potassium voltage-gated channel subfamily H member 2 (sprot)

description: A voltage-gated potassium channel KCNH2 that is encoded in the genome of human.


NECA

A derivative of adenosine in which the 5'-hydroxymethyl group is replaced by an N-ethylcarboxamido group.


name: AA3R_HUMAN Adenosine receptor A3 (sprot)

description: An adenosine receptor A3 that is encoded in the genome of human.


name: CNR1_HUMAN Cannabinoid receptor 1 (sprot)

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


rimonabant

A carbohydrazide obtained by formal condensation of the carboxy group of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid with the amino group of 1-aminopiperidine. It is a potent and selective cannabinoid receptor 1 (CB1R) antagonist. Besides its antagonistic properties, numerous studies have shown that, at micromolar concentrations rimonabant behaves as an inverse agonist at CB1 receptors. The drug was the first selective CB1 antagonist/inverse agonist introduced into clinical practice to treat obesity and metabolic-related disorders. It was later withdrawn from market due to CNS-related adverse effects including depression and suicidal ideation.


A carbohydrazide obtained by formal condensation of the carboxy group of 1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-1H-pyrazole-3-carboxylic acid with the amino group of 1-aminopiperidine. An antagonist at the CB1 cannabinoid receptor.


A organic heterotricyclic compound that is 5-methyl-3-(morpholin-4-ylmethyl)-2,3-dihydro[1,4]oxazino[2,3,4-hi]indole substituted at position 6 by a 1-naphthylcarbonyl group.


name: PYRF_METTH Orotidine 5'-phosphate decarboxylase (sprot)


6-AZA-URIDINE MONOPHOSPHATE

A N-glycosyl-1,2,4-triazine that is the 6-aza analogue of uridine 5'-monophosphate.


name: 5HT6R_HUMAN 5-hydroxytryptamine receptor 6 (sprot)

description: A 5-hydroxytryptamine receptor 6 that is encoded in the genome of human.


name: 5HT2B_HUMAN 5-hydroxytryptamine receptor 2B (sprot)

description: A 5-hydroxytryptamine receptor 2B that is encoded in the genome of human.


name: 5HT7R_HUMAN 5-hydroxytryptamine receptor 7 (sprot)

description: A 5-hydroxytryptamine receptor 7 that is encoded in the genome of human.


CP1A2_HUMAN Cytochrome P450 1A2 (sprot)

A cytochrome P450 1A2 that is encoded in the genome of human.


name: CP2CJ_HUMAN Cytochrome P450 2C19 (sprot)

description: A cytochrome P450 2C19 that is encoded in the genome of human.


CP2D6_HUMAN Cytochrome P450 2D6 (sprot)

A cytochrome P450 2D6 that is encoded in the genome of human.


name: 5HT7R_RAT 5-hydroxytryptamine receptor 7 (sprot)

description: A 5-hydroxytryptamine receptor 7 that is encoded in the genome of rat.


name: 5HT1A_HUMAN 5-hydroxytryptamine receptor 1A (sprot)

description: A 5-hydroxytryptamine receptor 1A that is encoded in the genome of human.


A tetralin substituted at positions 1 and 7 by hydroxy and dipropylamino groups respectively


ketanserin

A member of the class of quinazolines that is quinazoline-2,4(1H,3H)-dione which is substituted at position 3 by a 2-[4-(p-fluorobenzoyl)piperidin-1-yl]ethyl group.


name: DRD2_HUMAN D(2) dopamine receptor (sprot)

description: A D(2) dopamine receptor that is encoded in the genome of human.


haloperidol

A compound composed of a central piperidine structure with hydroxy and p-chlorophenyl substituents at position 4 and an N-linked p-fluorobutyrophenone moiety.


spiperone

An azaspiro compound that is 1,3,8-triazaspiro[4.5]decane which is substituted at positions 1, 4, and 8 by phenyl, oxo, and 4-(p-fluorophenyl)-4-oxobutyl groups, respectively.


name: B2CL1_HUMAN Bcl-2-like protein 1 (sprot)

description: A Bcl-2-like protein 1 that is encoded in the genome of human.


A biphenyl that is 4-chloro-1,1'-biphenyl substituted by a (4-{4-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzene-1-sulfonyl)carbamoyl]phenyl}piperazin-1-yl)methyl group at position 2'. It is a BH3-mimetic drug which targets the anti-apoptotic B-cell lymphoma-2 (BCL-2) family proteins, including BCL-2, BCL-xL, and BCL-w, and induces apoptosis in cancer cells.


name: BCL2_HUMAN Apoptosis regulator Bcl-2 (sprot)

description: An apoptosis regulator Bcl-2 that is encoded in the genome of human.


name: ACE2_HUMAN Angiotensin-converting enzyme 2 (sprot)

description: An angiotensin-converting enzyme 2 that is encoded in the genome of human.


CBPA1_BOVIN Carboxypeptidase A1 (sprot)

A carboxypeptidase A1 that is encoded in the genome of cow.


A L-histidine derivative that is L-histidine in which a hydrogen of the primary amino group is substituted by a (1S)-1-carboxy-3-methylbutyl group and the ring NH group is substituted by a 3,5-dichlorobenzyl group. It is a potent and selective human angiotensin-converting enzyme 2 (ACE2) inhibitor (IC50 = 0.44 nM) which was in clinical development for the treatment of ulcerative colitis.


name: TGFR1_HUMAN TGF-beta receptor type-1 (sprot)

description: A TGF-beta receptor type-1 that is encoded in the genome of human.


LEG1_HUMAN Galectin-1 (sprot)

A galectin-1 that is encoded in the genome of human.


A methyl glycoside that is beta-D-galactopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranose in which the anomeric hydroxy group is replaced by methoxy.


LEG3_HUMAN Galectin-3 (sprot)

A galectin-3 that is encoded in the genome of human.


LEG7_HUMAN Galectin-7 (sprot)

A galectin-7 that is encoded in the genome of human.


LEG8_HUMAN Galectin-8 (sprot)

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


LEG9_HUMAN Galectin-9 (sprot)

A galectin-9 that is encoded in the genome of human.


name: PD2R2_HUMAN Prostaglandin D2 receptor 2 (sprot)

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


name: PD2R2_MOUSE Prostaglandin D2 receptor 2 (sprot)

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


tranilast

An amidobenzoic acid that is anthranilic acid in which one of the anilino hydrogens is replaced by a 3,4-dimethoxycinnamoyl group.


name: HPGDS_HUMAN Hematopoietic prostaglandin D synthase (sprot)

description: A glutathione-requiring prostaglandin D synthase that is encoded in the genome of human.


NEP_RABIT Neprilysin (sprot)

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


name: ACE_RAT Angiotensin-converting enzyme (sprot)

description: An angiotensin-converting enzyme that is encoded in the genome of rat.


captopril

A L-proline derivative in which L-proline is substituted on nitrogen with a (2S)-2-methyl-3-sulfanylpropanoyl group. It is used as an anti-hypertensive ACE inhibitor drug.


name: ECE1_HUMAN Endothelin-converting enzyme 1 (sprot)

description: An endothelin-converting enzyme 1 that is encoded in the genome of human.


name: NR1I2_HUMAN Nuclear receptor subfamily 1 group I member 2 (sprot)

description: A nuclear receptor subfamily 1 group I member 2 that is encoded in the genome of human.


chenodeoxycholic acid

A dihydroxy-5beta-cholanic acid that is (5beta)-cholan-24-oic acid substituted by hydroxy groups at positions 3 and 7 respectively.


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

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


obeticholic acid

A dihydroxy-5beta-cholanic acid that is chenodeoxycholic acid carrying an additional ethyl substituent at the 6alpha-position. A semi-synthetic bile acid which acts as a farnesoid X receptor agonist and is used for treatment of primary biliary cholangitis.


cholic acid

A bile acid that is 5beta-cholan-24-oic acid bearing three alpha-hydroxy substituents at position 3, 7 and 12.


A trihydroxy-5beta-cholanic acid in which the three hydroxy groups are located at positions 3alpha, 7alpha and 12alpha together with a methyl substituent, with S-configuration, at position 23.


NR1H4_HUMAN Bile acid receptor (sprot)

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


DEF_ECOLI Peptide deformylase (sprot)

A peptide deformylase that is encoded in the genome of Escherichia coli K-12.


DEF_STRR6 Peptide deformylase (sprot)

A protein that is a translation product of the def gene in Streptococcus pneumoniae R6.


name: DPO3_BACSU DNA polymerase III PolC-type (sprot)

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


name: DPO3A_BACSU DNA polymerase III subunit alpha (sprot)


name: DPOG1_HUMAN DNA polymerase subunit gamma-1 (sprot)

description: A DNA polymerase subunit gamma-1 that is encoded in the genome of human.


name: PARC_BACSU DNA topoisomerase 4 subunit A (sprot)


ciprofloxacin

A  quinolone that is quinolin-4(1H)-one bearing cyclopropyl, carboxylic acid, fluoro and piperazin-1-yl substituents at positions 1, 3, 6 and 7, respectively.


nalidixic acid

A monocarboxylic acid comprising 1,8-naphthyridin-4-one substituted by carboxylic acid, ethyl and methyl groups at positions 3, 1, and 7, respectively. An orally administered antibacterial, it is used in the treatment of lower urinary-tract infections due to Gram-negative bacteria, including the majority of E. coli, Enterobacter, Klebsiella, and Proteus species.


name: FPR2_HUMAN N-formyl peptide receptor 2 (sprot)

description: An N-formyl peptide receptor 2 that is encoded in the genome of human.


name: AMACR_RAT Alpha-methylacyl-CoA racemase (sprot)

description: An alpha-methylacyl-CoA racemase that is encoded in the genome of rat.


name: ST14_HUMAN Suppressor of tumorigenicity 14 protein (sprot)

description: A suppressor of tumorigenicity 14 protein that is encoded in the genome of human.


THRB_BOVIN Prothrombin (sprot)

A prothrombin that is encoded in the genome of cow.


name: PPARA_HUMAN Peroxisome proliferator-activated receptor alpha (sprot)

description: A peroxisome proliferator-activated receptor alpha that is encoded in the genome of human.


name: PPARD_HUMAN Peroxisome proliferator-activated receptor delta (sprot)

description: A peroxisome proliferator-activated receptor delta that is encoded in the genome of human.


name: PPARG_HUMAN Peroxisome proliferator-activated receptor gamma (sprot)

description: A peroxisome proliferator-activated receptor gamma that is encoded in the genome of human.


OPRX_HUMAN Nociceptin receptor (sprot)

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


name: OPRK_HUMAN Kappa-type opioid receptor (sprot)

description: A kappa-type opioid receptor that is encoded in the genome of human.


name: OPRM_HUMAN Mu-type opioid receptor (sprot)

description: A mu-type opioid receptor that is encoded in the genome of human.


name: M3K8_HUMAN Mitogen-activated protein kinase kinase kinase 8 (sprot)

description: A mitogen-activated protein kinase kinase kinase 8 that is encoded in the genome of human.


name: Carbamic acid, N-(4-hydroxybutyl)-, 2-(5-((1S)-1-((2-amino-2-methyl-1-oxopropyl)amino)-2-(phenylmethoxy)ethyl)-1H-tetrazol-1-yl)ethyl ester


ADA_BOVIN Adenosine deaminase (sprot)

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


L-NNA

An L-arginine derivative that is L-arginine in which the terminal nitrogen of the guanidyl group is replaced by a nitro group.


name: NOS1_RAT Nitric oxide synthase 1 (sprot)

description: A nitric oxide synthase 1 that is encoded in the genome of rat.


name: NOS3_BOVIN Nitric oxide synthase 3 (sprot)


name: NOS2_MOUSE Nitric oxide synthase, inducible (sprot)

description: A nitric oxide synthase, inducible that is encoded in the genome of mouse.


A  tryptophan derivative that is tryptophan carrying a single methyl substituent at position 1 on the indole.


name: I23O1_HUMAN Indoleamine 2,3-dioxygenase 1 (sprot)

description: An indoleamine 2,3-dioxygenase 1 that is encoded in the genome of human.


name: MOT1_HUMAN Monocarboxylate transporter 1 (sprot)

description: A monocarboxylate transporter 1 that is encoded in the genome of human.


TSPO_RAT Translocator protein (sprot)

A protein that is a translation product of the Tspo gene in rat.


PK 11195

A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 1-(2-chlorophenyl)isoquinoline-3-carboxylic acid with the amino group of sec-butylmethylamine


name: PNPH_HUMAN Purine nucleoside phosphorylase (sprot)

description: A purine nucleoside phosphorylase that is encoded in the genome of human.


name: PNPH_BOVIN Purine nucleoside phosphorylase (sprot)


name: MTAP_HUMAN S-methyl-5'-thioadenosine phosphorylase (sprot)

description: An S-methyl-5'-thioadenosine phosphorylase that is encoded in the genome of human.


name: MTNN_ECOLI 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase (sprot)

description: A 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase that is encoded in the genome of Escherichia coli K-12.


atorvastatin

A dihydroxy monocarboxylic acid that is a member of the drug class known as statins, used primarily for lowering blood cholesterol and for preventing cardiovascular diseases.


vanoxerine

An N-alkylpiperazine that consists of piperazine bearing 2-bis(4-fluorophenyl)methoxy]ethyl and 3-phenylpropyl groups at positions 1 and 4 respectively. Potent, competitive inhibitor of dopamine uptake (Ki = 1 nM for inhibition of striatal dopamine uptake). Has > 100-fold lower affinity for the noradrenalin and 5-HT uptake carriers. Also a potent sigma ligand (IC50 = 48 nM). Centrally active following systemic administration.


name: SC6A3_RAT Sodium-dependent dopamine transporter (sprot)

description: A sodium-dependent dopamine transporter that is encoded in the genome of rat.


An N-alkylpiperazine that consists of piperazine bearing 2-(benzhydryloxy)ethyl and 3-phenylpropyl groups at positions 1 and 4 respectively. Potent and selective inhibitor of dopamine uptake (KD = 5.5 nM in rat striatal membranes).


name: SC6A4_RAT Sodium-dependent serotonin transporter (sprot)

description: A sodium-dependent serotonin transporter that is encoded in the genome of rat.


name: S1PR1_HUMAN Sphingosine 1-phosphate receptor 1 (sprot)

description: A sphingosine 1-phosphate receptor 1 that is encoded in the genome of human.


name: S1PR3_HUMAN Sphingosine 1-phosphate receptor 3 (sprot)

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


name: S1PR4_HUMAN Sphingosine 1-phosphate receptor 4 (sprot)

description: A sphingosine 1-phosphate receptor 4 that is encoded in the genome of human.


name: S1PR5_HUMAN Sphingosine 1-phosphate receptor 5 (sprot)

description: A sphingosine 1-phosphate receptor 5 that is encoded in the genome of human.


name: LOX15_RABIT Polyunsaturated fatty acid lipoxygenase ALOX15 (sprot)

description: A protein that is a translation product of the ALOX15 gene in rabbit.


name: LOX5_HUMAN Polyunsaturated fatty acid 5-lipoxygenase (sprot)

description: A polyunsaturated fatty acid 5-lipoxygenase that is encoded in the genome of human.


name: LOX1_SOYBN Seed linoleate 13S-lipoxygenase-1 (sprot)

description: A protein that is a translation product of the LOX1.1 gene in Glycine max.


name: PGH1_SHEEP Prostaglandin G/H synthase 1 (sprot)

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


name: PGH2_HUMAN Prostaglandin G/H synthase 2 (sprot)

description: A prostaglandin G/H synthase 2 that is encoded in the genome of human.


aspirin

A member of the class of benzoic acids that is salicylic acid in which the hydrogen that is attached to the phenolic hydroxy group has been replaced by an acetoxy group. A non-steroidal anti-inflammatory drug with cyclooxygenase inhibitor activity.


rofecoxib

A butenolide that is furan-2(5H)-one substituted by a phenyl group at position 3 and by a p-(methylsulfonyl)phenyl group at position 4. A selective cyclooxygenase 2 inhibitor, it was used from 1999 to 2004 for the treatment of ostoarthritis, but was withdrawn following concerns about an associated increased risk of heart attack and stroke.


masoprocol

The meso-form of nordihydroguaiaretic acid. An antioxidant found in the creosote bush, Larrea divaricata, it is a potent lipoxygenase inhibitor that interferes with arachidonic acid metabolism. It also inhibits (though to a lesser extent) formyltetrahydrofolate synthetase, carboxylesterase, and cyclooxygenase.


name: NR5A2_HUMAN Nuclear receptor subfamily 5 group A member 2 (sprot)

description: A nuclear receptor subfamily 5 group A member 2 that is encoded in the genome of human.


name: STF1_HUMAN Steroidogenic factor 1 (sprot)

description: A steroidogenic factor 1 that is encoded in the genome of human.


cocaine

A tropane alkaloid obtained from leaves of the South American shrub Erythroxylon coca.


name: SC6A3_HUMAN Sodium-dependent dopamine transporter (sprot)

description: A sodium-dependent dopamine transporter that is encoded in the genome of human.


name: SC6A2_HUMAN Sodium-dependent noradrenaline transporter (sprot)

description: A sodium-dependent noradrenaline transporter that is encoded in the genome of human.


name: ERR1_HUMAN Steroid hormone receptor ERR1 (sprot)

description: A steroid hormone receptor ERR1 that is encoded in the genome of human.


name: ERR3_HUMAN Estrogen-related receptor gamma (sprot)

description: An estrogen-related receptor gamma that is encoded in the genome of human.


name: HDAC6_HUMAN Histone deacetylase 6 (sprot)

description: A histone deacetylase 6 that is encoded in the genome of human.


name: FFAR1_HUMAN Free fatty acid receptor 1 (sprot)

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


name: HRH3_HUMAN Histamine H3 receptor (sprot)

description: A histamine H3 receptor that is encoded in the genome of human.


clobenpropit

An imidothiocarbamic ester that consists of isothiourea bearing S-3-(imidazol-4-yl)propyl and N-4-chlorobenzyl substituents. An extremely potent histamine H3 antagonist/inverse agonist (pA2 = 9.93). Also displays partial agonist activity at H4 receptors; induces eosinophil shape change with an EC50 of 3 nM.


name: HRH4_HUMAN Histamine H4 receptor (sprot)

description: An H4 histamine receptor that is encoded in the genome of human.


name: HRH4_MOUSE Histamine H4 receptor (sprot)

description: An H4 histamine receptor that is encoded in the genome of mouse.


HRH4_RAT Histamine H4 receptor (sprot)

An H4 histamine receptor that is encoded in the genome of rat.


HRH3_RAT Histamine H3 receptor (sprot)

A histamine H3 receptor that is encoded in the genome of rat.


name: HRH1_HUMAN Histamine H1 receptor (sprot)

description: A histamine H1 receptor that is encoded in the genome of human.


name: PUR9_HUMAN Bifunctional purine biosynthesis protein ATIC (sprot)

description: A bifunctional purine biosynthesis protein ATIC that is encoded in the genome of human.


name: PUR2_HUMAN Trifunctional purine biosynthetic protein adenosine-3 (sprot)

description: A trifunctional purine biosynthetic protein adenosine-3 that is encoded in the genome of human.


BENZIL

An alpha-diketone that is ethane-1,2-dione substituted by phenyl groups at positions 1 and 2 respectively.


name: FA12_HUMAN Coagulation factor XII (sprot)

description: A coagulation factor XII that is encoded in the genome of human.


An alpha-diketone that consists of 1-phenylpropane bearing keto substituents at positions 1 and 2. It is found in coffee.


benzoin

A ketone that consists of acetophenone bearing hydroxy and phenyl substituents at the alpha-position. The parent of the class of benzoins.


CHLORANIL

A member of the class of 1,4-benzoquiones that is 1,4-benzoquinone in which all four hydrogens are substituted by chlorines.


name: EST1_HUMAN Liver carboxylesterase 1 (sprot)

description: A liver carboxylesterase 1 that is encoded in the genome of human.


DIBENZOYLMETHANE

A beta-diketone that is acetylacetone (acac) in which both methyl groups have been replaced by phenyl groups. It is a minor constituent of the root extract of licorice (Glycyrrhiza glabra) and exhibits antimutagenic and anticancer effects.


name: EST1_RABIT Liver carboxylesterase 1 (sprot)

description: A protein that is a translation product of the LOC100009551 gene in rabbit.


benzoquinone

The simplest member of the class of 1,4-benzoquinones, obtained by the formal oxidation of hydroquinone to the corresponding diketone. It is a metabolite of benzene.


N-acetylisatin

An indoledione consisting of isatin carrying an N-acetyl substituent.


The parent structure of the family of 1,2-naphthoquinones, in which the oxo groups of the quinone moiety are at positions 1 and 2 of the naphthalene ring. It is a metabolite of naphthalene and is found in diesel exhaust particles.


ACENAPHTHOQUINONE

An orthoquinone that is the 1,2-dioxo derivative of acenaphthene.


An aralkylamino compound that is histamine bearing a methyl substituent at the 2 position on the ring.


amoxapine

A dibenzooxazepine compound having a chloro substituent at the 2-position and a piperazin-1-yl group at the 11-position.


An aralkylamino compound that is histamine bearing a methyl substituent at the 5 position on the ring.


(R)-alpha-methylhistamine

An aralkylamino compound that is histamine bearing a methyl substituent at the alpha-position (the R-enantiomer).


imetit

An imidothiocarbamic ester that consists of isothiourea in which the thiol hydrogen is substituted by a 2-(imidazol-4-yl)ethyl group. An extremely potent, high affinity agonist at H3 and H4 receptors (Ki values are 0.3 and 2.7 nM respectively). Induces shape change in eosinophils with an EC50 of 25 nM. Centrally active following systemic administration.


ADA_HUMAN Adenosine deaminase (sprot)

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


pentostatin

A member of the class of coformycins that is coformycin in which the hydroxy group at position 2' is replaced with a hydrogen. It is a drug used for the treatment of hairy cell leukaemia.


meclofenamic acid

An aminobenzoic acid that is anthranilic acid in which one of the hydrogens attached to the nitrogen is replaced by a 2,6-dichloro-3-methylphenyl group. A non-steroidal anti-inflammatory drug, it is used as the sodium salt for the treatment of dysmenorrhoea (painful periods), osteoarthritis and rheumatoid arthritis.


name: PGH2_MOUSE Prostaglandin G/H synthase 2 (sprot)

description: A prostaglandin G/H synthase 2 that is encoded in the genome of mouse.


chloroquine

An aminoquinoline that is quinoline which is substituted at position 4 by a [5-(diethylamino)pentan-2-yl]amino group at at position 7 by chlorine. It is used for the treatment of malaria, hepatic amoebiasis, lupus erythematosus, light-sensitive skin eruptions, and rheumatoid arthritis.


DNLI_BPT4 DNA ligase (sprot)

A protein that is a translation product of the 30 gene in Tequatrovirus T4.


DNLI1_HUMAN DNA ligase 1 (sprot)

A DNA ligase 1 that is encoded in the genome of human.


N-arachidonoylserotonin

An N-acylserotonin obtained by formal condensation of the carboxy group of arachidonic acid with the primary amino group of serotonin.


name: FAAH1_RAT Fatty-acid amide hydrolase 1 (sprot)

description: A fatty-acid amide hydrolase 1 that is encoded in the genome of rat.


N-oleoylserotonin

An N-acylserotonin obtained by formal condensation of the carboxy group of oleoic acid with the primary amino group of serotonin.


name: FAAH1_HUMAN Fatty-acid amide hydrolase 1 (sprot)

description: A fatty-acid amide hydrolase 1 that is encoded in the genome of human.


fingolimod-phosphate

A primary amino compound that is fingolimod in which one on the hydroxy groups has been converted into its dihydrogen phosphate derivative. It is the active metabolite of fingolimod.


name: S1PR2_HUMAN Sphingosine 1-phosphate receptor 2 (sprot)

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


OXDA_PIG D-amino-acid oxidase (sprot)

A D-amino-acid oxidase that is encoded in the genome of pig.


name: PYGM_RABIT Glycogen phosphorylase, muscle form (sprot)

description: A glycogen phosphorylase, muscle form that is encoded in the genome of rabbit.


BETULIN

A pentacyclic triterpenoid that is lupane having a double bond at position 20(29) as well as 3beta-hydroxy and 28-hydroxymethyl substituents.


betulinic acid

A pentacyclic triterpenoid that is lupane having a double bond at position 20(29) as well as 3beta-hydroxy and 28-carboxy substituents. It is found in the bark and other plant parts of several species of plants including Syzygium claviflorum. It exhibits anti-HIV, antimalarial, antineoplastic and anti-inflammatory properties.


name: LYS12_YEAST Homoisocitrate dehydrogenase, mitochondrial (sprot)

description: A protein that is a translation product of the LYS12 gene in yeast.


OXAMATE

A dicarboxylic acid monoamide resulting from the formal condensation of one of the carboxy groups of oxalic acid with ammonia.


name: LDH_PLAFD L-lactate dehydrogenase (sprot)


name: LDHB_BOVIN L-lactate dehydrogenase B chain (sprot)


name: MDHM_PIG Malate dehydrogenase, mitochondrial (sprot)


name: MDHC_PIG Malate dehydrogenase, cytoplasmic (sprot)

description: A malate dehydrogenase, cytoplasmic that is encoded in the genome of pig.


name: LDHB_HUMAN L-lactate dehydrogenase B chain (sprot)

description: An L-lactate dehydrogenase B chain that is encoded in the genome of human.


name: BXA2_CLOBJ Botulinum neurotoxin type A2 (sprot)


name: FKB1A_BOVIN Peptidyl-prolyl cis-trans isomerase FKBP1A (sprot)


name: FKB1A_HUMAN Peptidyl-prolyl cis-trans isomerase FKBP1A (sprot)

description: A peptidyl-prolyl cis-trans isomerase FKBP1A that is encoded in the genome of human.


acarbose

A tetrasaccharide derivative consisting of a dideoxy-4-{[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl C7 cyclitol moiety [called valienol (or valienamine)] linked via nitrogen to isomaltotriose.


AMY1A_HUMAN Alpha-amylase 1A (sprot)

A protein that is a translation product of the AMY1A gene in human.


QUERCETAGETIN

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


scutellarein

Flavone substituted with hydroxy groups at C-4', -5, -6 and -7.


name: UCHL3_HUMAN Ubiquitin carboxyl-terminal hydrolase isozyme L3 (sprot)

description: A ubiquitin carboxyl-terminal hydrolase isozyme L3 that is encoded in the genome of human.


decanoate

A fatty acid anion 10:0 that is the conjugate base of decanoic acid.


name: LPXC_AQUAE UDP-3-O-acyl-N-acetylglucosamine deacetylase (sprot)


dodecanoate

A medium-chain fatty acid anion that is the conjugate base of dodecanoic acid (lauric acid); major species at pH 7.3.


name: ADA17_HUMAN Disintegrin and metalloproteinase domain-containing protein 17 (sprot)

description: An ADAM 17 endopeptidase that is encoded in the genome of human.


MMP7_HUMAN Matrilysin (sprot)

A matrilysin that is encoded in the genome of human.


name: MMP14_HUMAN Matrix metalloproteinase-14 (sprot)

description: A matrix metalloproteinase-14 that is encoded in the genome of human.


name: ATS4_HUMAN A disintegrin and metalloproteinase with thrombospondin motifs 4 (sprot)

description: An a disintegrin and metalloproteinase with thrombospondin motifs 4 that is encoded in the genome of human.


nicotinic acid

A pyridinemonocarboxylic acid that is pyridine in which the hydrogen at position 3 is replaced by a carboxy group.


name: HCAR2_HUMAN Hydroxycarboxylic acid receptor 2 (sprot)

description: A hydroxycarboxylic acid receptor 2 that is encoded in the genome of human.


name: FABH_ENTFA Beta-ketoacyl-[acyl-carrier-protein] synthase III (sprot)

description: A beta-ketoacyl-[acyl-carrier-protein] synthase III that is encoded in the genome of Enterococcus faecalis V583.


name: (3-Phenoxybenzoylamino)benzoic acid deriv., 23c


name: (3-Phenoxybenzoylamino)benzoic acid deriv., 23d


name: (3-Phenoxybenzoylamino)benzoic acid deriv., 24i


name: (3-Phenoxybenzoylamino)benzoic acid deriv., 31


name: (3-Phenoxybenzoylamino)benzoic acid deriv., 33


name: FABH_STRP3 Beta-ketoacyl-[acyl-carrier-protein] synthase III (sprot)


name: FABH_STAA8 Beta-ketoacyl-[acyl-carrier-protein] synthase III (sprot)

description: A beta-ketoacyl-[acyl-carrier-protein] synthase III that is encoded in the genome of Staphylococcus aureus subsp. aureus NCTC 8325.


name: FABH_HAEIN Beta-ketoacyl-[acyl-carrier-protein] synthase III (sprot)


name: (3-Phenoxybenzoylamino)benzoic acid deriv., 23e


name: (3-Phenoxybenzoylamino)benzoic acid deriv., 23f


name: (3-Phenoxybenzoylamino)benzoic acid deriv., 23g


name: (3-Phenoxybenzoylamino)benzoic acid deriv., 23h


name: (3-Phenoxybenzoylamino)benzoic acid deriv., 24a


name: (3-Phenoxybenzoylamino)benzoic acid deriv., 24b


name: (3-Phenoxybenzoylamino)benzoic acid deriv., 24d


name: (3-Phenoxybenzoylamino)benzoic acid deriv., 24e


name: (3-Phenoxybenzoylamino)benzoic acid deriv., 24g


name: (3-Phenoxybenzoylamino)benzoic acid deriv., 24h


name: (3-Phenoxybenzoylamino)benzoic acid deriv., 24j


name: (3-Phenoxybenzoylamino)benzoic acid deriv., 24k


name: (3-Phenoxybenzoylamino)benzoic acid deriv., 24l


name: (3-Phenoxybenzoylamino)benzoic acid deriv., 24m


name: (3-Phenoxybenzoylamino)benzoic acid deriv., 24n


name: (3-Phenoxybenzoylamino)benzoic acid deriv., 24o


name: (3-Phenoxybenzoylamino)benzoic acid deriv., 24p


name: S29A1_HUMAN Equilibrative nucleoside transporter 1 (sprot)

description: An equilibrative nucleoside transporter 1 that is encoded in the genome of human.


dipyridamole

A pyrimidopyrimidine that is 2,2',2'',2'''-(pyrimido[5,4-d]pyrimidine-2,6-diyldinitrilo)tetraethanol substituted by piperidin-1-yl groups at positions 4 and 8 respectively. A vasodilator agent, it inhibits the formation of blood clots.


ELNE_HUMAN Neutrophil elastase (sprot)

A neutrophil elastase that is encoded in the genome of human.


name: PA2GA_HUMAN Phospholipase A2, membrane associated (sprot)

description: A phospholipase A2, membrane associated that is encoded in the genome of human.


name: PA21B_PIG Phospholipase A2, major isoenzyme (sprot)

description: A phospholipase A2 that is encoded in the genome of pig.


name: KIF11_HUMAN Kinesin-like protein KIF11 (sprot)

description: A kinesin-like protein KIF11 that is encoded in the genome of human.


name: MAL32_YEAST Alpha-glucosidase MAL32 (sprot)

description: A protein that is a translation product of the MAL32 gene in yeast.


name: CAN1_PIG Calpain-1 catalytic subunit (sprot)

description: A calpain-1 catalytic subunit that is encoded in the genome of pig.


FA10_BOVIN Coagulation factor X (sprot)

A coagulation factor X that is encoded in the genome of cow.


resveratrol

A resveratrol in which the double bond has E configuration.


name: AHR_RABIT Aryl hydrocarbon receptor (sprot)


name: PI2R_HUMAN Prostacyclin receptor (sprot)

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


name: AMPL_BOVIN Cytosol aminopeptidase (sprot)


name: AMPX_VIBPR Bacterial leucyl aminopeptidase (sprot)


AMPN_PIG Aminopeptidase N (sprot)

An aminopeptidase N that is encoded in the genome of pig.


name: LKHA4_HUMAN Leukotriene A-4 hydrolase (sprot)

description: A leukotriene A-4 hydrolase that is encoded in the genome of human.


name: ATS5_HUMAN A disintegrin and metalloproteinase with thrombospondin motifs 5 (sprot)

description: An a disintegrin and metalloproteinase with thrombospondin motifs 5 that is encoded in the genome of human.


name: MMP12_HUMAN Macrophage metalloelastase (sprot)

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


name: Sulfamic acid, 2-bromo-4-[(4-cyanophenyl)-1H-1,2,4-triazol-1-ylmethyl]phenyl ester


name: HDA10_HUMAN Polyamine deacetylase HDAC10 (sprot)

description: A polyamine deacetylase HDAC10 that is encoded in the genome of human.


name: PYGL_HUMAN Glycogen phosphorylase, liver form (sprot)

description: A glycogen phosphorylase, liver form that is encoded in the genome of human.


name: 3,4-dihydro-2-quinolone (DHQ) derivative, 6


name: 3,4-dihydro-2-quinolone (DHQ) derivative, 8


name: 3,4-dihydro-2-quinolone (DHQ) derivative, 9


name: 3,4-dihydro-2-quinolone (DHQ) derivative, 10


name: 3,4-dihydro-2-quinolone (DHQ) derivative, 21


name: 3,4-dihydro-2-quinolone (DHQ) derivative, 24


name: 3,4-dihydro-2-quinolone (DHQ) derivative, 27


name: 3,4-dihydro-2-quinolone (DHQ) derivative, 31


name: MET_MOUSE Hepatocyte growth factor receptor (sprot)

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


A member of the class of quinolines that is 7-methoxyquinoline substituted at position 4 by a (6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy group. AMG exhibits antitumour activity, particularly in prostate cancer.


name: PTN11_HUMAN Tyrosine-protein phosphatase non-receptor type 11 (sprot)

description: A tyrosine-protein phosphatase non-receptor type 11 that is encoded in the genome of human.


name: PTN6_HUMAN Tyrosine-protein phosphatase non-receptor type 6 (sprot)

description: A tyrosine-protein phosphatase non-receptor type 6 that is encoded in the genome of human.


orlistat

A carboxylic ester resulting from the formal condensation of the carboxy group of N-formyl-L-leucine with the hydroxy group of (3S,4S)-3-hexyl-4-[(2S)-2-hydroxytridecyl]oxetan-2-one. A pancreatic lipase inhibitor, it is used as an anti-obesity drug.


FAS_HUMAN Fatty acid synthase (sprot)

A fatty acid synthase that is encoded in the genome of human.


novobiocin

A coumarin-derived antibiotic obtained from Streptomyces niveus.


GYRA_ECOLI DNA gyrase subunit A (sprot)

A DNA gyrase subunit A that is encoded in the genome of Escherichia coli K-12.


name: PARC_ECOLI DNA topoisomerase 4 subunit A (sprot)

description: A DNA topoisomerase 4 subunit A that is encoded in the genome of Escherichia coli K-12.


mocetinostat

A benzamide obtained by formal condensation of the carboxy group of 4-({[4-(pyridin-3-yl)pyrimidin-2-yl]amino}methyl)benzoic acid with one of the amino groups of benzene-1,2-diamine. It is an orally active and isotype-selective HDAC inhibitor which exhibits antitumour activity (IC50 = 0.15, 0.29, 1.66 and 0.59 muM for HDAC1, HDAC2, HDAC3 and HDAC11).


name: HDA11_HUMAN Histone deacetylase 11 (sprot)

description: A histone deacetylase 11 that is encoded in the genome of human.


A member of the class of pryrazoles that is 4-amino-1H-pyrazole-3-carboxylic acid in which the primary amino group has been acylated by a 2,6-difluorobenzoyl group and in which the carboxylic acid has been converted to a carboxamide by formal condensation with the primary amino group of 4-aminopiperidine. It is a CDK1, CDK2 and CDK17 kinase inhibitor.


A member of the class of pryrazoles that is 4-amino-1H-pyrazole-3-carboxylic acid in which the primary amino group has been acylated by a 2,6-dichlorobenzoyl group and in which the carboxylic acid has been converted into a carboxamide by formal condensation with the primary amino group of 4-aminopiperidine.


name: NTRK2_HUMAN BDNF/NT-3 growth factors receptor (sprot)

description: A BDNF/NT-3 growth factors receptor that is encoded in the genome of human.


name: NTRK1_HUMAN High affinity nerve growth factor receptor (sprot)

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


POLG_WNV Genome polyprotein (sprot)

A protein that is a translation product of the WNVgp1 gene in West Nile virus.


name: Capped tripeptide aldehyde inhibitor, 10


name: Capped tripeptide aldehyde inhibitor, 21


name: Capped tripeptide aldehyde inhibitor, 29


name: Capped tripeptide aldehyde inhibitor, 30


name: Capped tripeptide aldehyde inhibitor, 31


name: Capped tripeptide aldehyde inhibitor, 32


name: Capped tripeptide aldehyde inhibitor, 33


name: Capped tripeptide aldehyde inhibitor, 34


name: Capped tripeptide aldehyde inhibitor, 35


name: Capped tripeptide aldehyde inhibitor, 36


name: Capped tripeptide aldehyde inhibitor, 37


name: VGFR3_HUMAN Vascular endothelial growth factor receptor 3 (sprot)

description: A vascular endothelial growth factor receptor 3 that is encoded in the genome of human.


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

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


A naphthoquinone that is naphthalene-1,4-dione substituted by a methoxy group at position 2. It has been isolated from the roots of Rubia yunnanensis.


NAPHTHOQUINONE

The parent structure of the family of 1,4-naphthoquinones, in which the oxo groups of the quinone moiety are at positions 1 and 4 of the naphthalene ring. Derivatives have pharmacological properties.


JUGLONE

A hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone in which the hydrogen at position 5 has been replaced by a hydroxy group. A plant-derived 1,4-naphthoquinone with confirmed antibacterial and antitumor activities.


menadione

A member of the class of 1,4-naphthoquinones that is 1,4-naphthoquinone which is substituted at position 2 by a methyl group. It is used as a nutritional supplement and for the treatment of hypoprothrombinemia.


A glutathione conjugate in which the mercapto hydrogen of glutathione has been replaced by a 1,4-dihydroxy-3-methylnaphthalen-2-yl group


name: Carbamic acid, phenethyldithio-, methyl ester


An imidazopyridine that is 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine in which the amino hydrogen is replaced by a 5-chloro-1H-pyrrolo[2,3-d]pyrimidin-4-yl group. A potent inhibitor of AKT1 kinase.


name: PLK1_HUMAN Serine/threonine-protein kinase PLK1 (sprot)

description: A serine/threonine-protein kinase PLK1 that is encoded in the genome of human.


name: PLK2_HUMAN Serine/threonine-protein kinase PLK2 (sprot)

description: A serine/threonine-protein kinase PLK2 that is encoded in the genome of human.


name: PLK3_HUMAN Serine/threonine-protein kinase PLK3 (sprot)

description: A serine/threonine-protein kinase PLK3 that is encoded in the genome of human.


name: PLK1_XENLA Serine/threonine-protein kinase PLK1 (sprot)

description: A protein that is a translation product of the plk1 gene in frog.


name: PTK6_HUMAN Protein-tyrosine kinase 6 (sprot)

description: A protein-tyrosine kinase 6 that is encoded in the genome of human.


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

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


name: FYN_HUMAN Tyrosine-protein kinase Fyn (sprot)

description: A tyrosine-protein kinase Fyn that is encoded in the genome of human.


A member of the class of imidazopyridines that is 4-(1-ethylimidazo[4,5-c]pyridin-4-yl)-2-methylbut-3-yn-2-ol carrying additional 2-(4-amino-1,2,5-oxadiazol-3-yl and [(3S)-piperidin-3-yl]methoxy substituents at positions 4 and 7 respectively.


name: KS6A5_HUMAN Ribosomal protein S6 kinase alpha-5 (sprot)

description: A ribosomal protein S6 kinase alpha-5 that is encoded in the genome of human.


name: ROCK1_RAT Rho-associated protein kinase 1 (sprot)

description: A Rho-associated protein kinase 1 that is encoded in the genome of rat.


name: KS6A1_HUMAN Ribosomal protein S6 kinase alpha-1 (sprot)

description: A ribosomal protein S6 kinase alpha-1 that is encoded in the genome of human.


name: KS6A1_RAT Ribosomal protein S6 kinase alpha-1 (sprot)

description: A ribosomal protein S6 kinase alpha-1 that is encoded in the genome of rat.


name: KS6A3_HUMAN Ribosomal protein S6 kinase alpha-3 (sprot)

description: A ribosomal protein S6 kinase alpha-3 that is encoded in the genome of human.


name: KS6A2_HUMAN Ribosomal protein S6 kinase alpha-2 (sprot)

description: A ribosomal protein S6 kinase alpha-2 that is encoded in the genome of human.


name: KS6A6_HUMAN Ribosomal protein S6 kinase alpha-6 (sprot)

description: A ribosomal protein S6 kinase alpha-6 that is encoded in the genome of human.


name: STK3_HUMAN Serine/threonine-protein kinase 3 (sprot)

description: A serine/threonine-protein kinase 3 that is encoded in the genome of human.


name: MARK3_HUMAN MAP/microtubule affinity-regulating kinase 3 (sprot)

description: A MAP/microtubule affinity-regulating kinase 3 that is encoded in the genome of human.


name: KC1A_HUMAN Casein kinase I isoform alpha (sprot)

description: A casein kinase I isoform alpha that is encoded in the genome of human.


pictilisib

A sulfonamide composed of indazole, morpholine, and methylsulfonyl-substituted piperazine rings bound to a thienopyrimidine ring.


name: P3C2B_HUMAN Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta (sprot)

description: A phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta that is encoded in the genome of human.


name: PK3C3_HUMAN Phosphatidylinositol 3-kinase catalytic subunit type 3 (sprot)

description: A phosphatidylinositol 3-kinase catalytic subunit type 3 that is encoded in the genome of human.


name: PK3CA_HUMAN Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (sprot)

description: A phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform that is encoded in the genome of human.


An organic heterotricyclic compound that is pyrido[3',2':4,5]furo[3,2-d]pyrimidine substituted at positions 2 and 4 by 3-hydroxyphenyl and morpholin-4-yl groups respectively. A dual-kinase inhibitor with anti-cancer properties.


name: PLK4_HUMAN Serine/threonine-protein kinase PLK4 (sprot)

description: A serine/threonine-protein kinase PLK4 that is encoded in the genome of human.


axitinib

An indazole substituted at position 3 by a 2-(pyridin-2-yl)vinyl group and at position 6 by a 2-(N-methylaminocarboxy)phenylsulfanyl group. Used for the treatment of advanced renal cell carcinoma after failure of a first line systemic treatment.


name: HDAC5_HUMAN Histone deacetylase 5 (sprot)

description: A histone deacetylase 5 that is encoded in the genome of human.


name: HDAC7_HUMAN Histone deacetylase 7 (sprot)

description: A histone deacetylase 7 that is encoded in the genome of human.


belinostat

A hydroxamic acid-type histone deacetylase (HDAC) inhibitor with antineoplastic activity.


name: EPHB4_HUMAN Ephrin type-B receptor 4 (sprot)

description: An ephrin type-B receptor 4 that is encoded in the genome of human.


name: GGPPS_HUMAN Geranylgeranyl pyrophosphate synthase (sprot)

description: A geranylgeranyl pyrophosphate synthase that is encoded in the genome of human.


zoledronic acid

An imidazole compound having a 2,2-bis(phosphono)-2-hydroxyethane-1-yl substituent at the 1-position.


alendronate

A 1,1-bis(phosphonic acid) that is methanebis(phosphonic acid) in which the two methylene hydrogens are replaced by hydroxy and 3-aminopropyl groups.


name: HIS1_MYCTU ATP phosphoribosyltransferase (sprot)


name: 2-Des(5-methyl-1,3,4-oxadiazole-2-carboxamide) 2-(2-Amino-2-oxoacetic Acid) Raltegravir


raltegravir

A pyrimidone that is pyrimidin-4(3H)-one in which the hydrogens at positions 2, 3, 5 and 6 are replaced by 2-[(5-methyl-1,3,4-oxadiazole-2-carbonyl)amino]propan-2-yl, methyl, hydroxy, and N-[(4-fluorophenyl)methyl]aminoacyl groups, respectively. It is an antiretroviral drug used for treatment of HIV infection.


isoprenaline

A secondary amino compound that is noradrenaline in which one of the hydrogens attached to the nitrogen is replaced by an isopropyl group. A sympathomimetic acting almost exclusively on beta-adrenergic receptors, it is used (mainly as the hydrochloride salt) as a bronghodilator and heart stimulant for the management of a variety of cardiac disorders.


name: ADRB2_HUMAN Beta-2 adrenergic receptor (sprot)

description: A beta-2 adrenergic receptor that is encoded in the genome of human.


abiraterone

A 3beta-sterol that is androsta-5,16-dien-3beta-ol substituted at position 17 by a 3-pyridyl group. Administered as the O-acetate, it is used for treatment of metastatic castrate-resistant prostate cancer.


name: CYSH_MYCTO Adenosine 5'-phosphosulfate reductase (sprot)


name: ROCK2_HUMAN Rho-associated protein kinase 2 (sprot)

description: A Rho-associated protein kinase 2 that is encoded in the genome of human.


name: MRCKA_HUMAN Serine/threonine-protein kinase MRCK alpha (sprot)

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


chelerythrine

A benzophenanthridine alkaloid isolated from the root of Zanthoxylum simulans, Chelidonium majus L., and other Papaveraceae.


name: KPCT_HUMAN Protein kinase C theta type (sprot)

description: A protein kinase C theta type that is encoded in the genome of human.


A pyrrolopyridine that is vemurafenib in which the p-chlorophenyl group has been replaced by chlorine. It is a potent and selective inhibitor of the Raf kinase B-Raf(V600E).


name: FRK_HUMAN Tyrosine-protein kinase FRK (sprot)

description: A tyrosine-protein kinase FRK that is encoded in the genome of human.


name: CSK_HUMAN Tyrosine-protein kinase CSK (sprot)

description: A tyrosine-protein kinase CSK that is encoded in the genome of human.


name: M4K4_HUMAN Mitogen-activated protein kinase kinase kinase kinase 4 (sprot)

description: A mitogen-activated protein kinase kinase kinase kinase 4 that is encoded in the genome of human.


DIPHENYLUREA

A member of the class of phenylureas that is urea in which one of the hydrogens of each amino group is replaced by a phenyl group. It is present in coconut milk (Cocos nucifera).


A phenylurea that is urea in which one of the hydrogens of each amino group is replaced by a 4-chlorophenyl group.


triclocarban

A member of the class of phenylureas that is urea substituted by a 4-chlorophenyl group and a 3,4-dichlorophenyl group at positions 1 and 3 respectively.


A phenylurea that is urea substituted by 1-acetylpiperidin-4-yl and 4-(trifluoromethoxy)phenyl groups at positions 1 and 3 respectively.


A phenylurea that is urea substituted by 1-(methylsulfonyl)piperidin-4-yl and 4-(trifluoromethoxy)phenyl groups at positions 1 and 3 respectively.


name: ADRB1_HUMAN Beta-1 adrenergic receptor (sprot)

description: A beta-1 adrenergic receptor that is encoded in the genome of human.


practolol

N-(4-Hydroxyphenyl)acetamide in which the hydrogen of the phenolic hydroxy group is substituted by a 3-(isopropylaminoamino)-2-hydroxypropyl group. A selective beta blocker, it has been used in the emergency treatment of cardiac arrhythmias.


levobetaxolol

The (S)-enantiomer of betaxolol.


atenolol

An ethanolamine compound having a (4-carbamoylmethylphenoxy)methyl group at the 1-position and an N-isopropyl substituent.


acebutolol

An ether that is the 2-acetyl-4-(butanoylamino)phenyl ether of the primary hydroxy group of 3-(propan-2-ylamino)propane-1,2-diol.


metoprolol

A propanolamine that is 1-(propan-2-ylamino)propan-2-ol substituted by a  4-(2-methoxyethyl)phenoxy group at position 1.


A benzimidazole that is benzimidazol-2-one substituted at position 4 by a 3-(tert-butylamino)-2-hydroxypropoxy group.


labetalol

A member of the class of benzamides that is benzamide substituted by a hydroxy group at position 2 and by a 1-hydroxy-2-[(4-phenylbutan-2-yl)amino]ethyl group at position 5.


carvedilol

A member of the class of carbazoles that is an adrenergic antagonist with non-selective beta- and alpha-1 receptor blocking properties which helps in the management of congestive heart failure.


propranolol

A propanolamine that is propan-2-ol substituted by a propan-2-ylamino group at position 1 and a naphthalen-1-yloxy group at position 3.


sotalol

A sulfonamide that is N-phenylmethanesulfonamide in which the phenyl group is substituted at position 4 by a 1-hydroxy-2-(isopropylamino)ethyl group. It has both beta-adrenoreceptor blocking (Vaughan Williams Class II) and cardiac action potential duration prolongation (Vaughan Williams Class III) antiarrhythmic properties. It is used (usually as the hydrochloride salt) for the management of ventricular and supraventricular arrhythmias.


alprenolol

A secondary alcohol that is propan-2-ol substituted by a 2-allylphenoxy group at position 1 and an isopropylamino group at position 3. It is a beta-adrenergic antagonist used as a antihypertensive, anti-arrhythmia and a sympatholytic agent.


nadolol

Nadolol is a diastereoisomeric mixture consisting of equimolar amounts of the four possible 2,3-cis-isomers of 5-[3-(tert-butylamino)-2-hydroxypropoxy]-1,2,3,4-tetrahydronaphthalene-2,3-diol.


timolol

1,2,5-Thiadiazole substituted at the 3 position by a 3-(tert-butylamino)-2-hydroxypropoxy group and at the 4 position by a morpholin-4-yl group. The (S)-(-) enantiomer, also known as timolol, is a beta-adrenergic antagonist and is used in the mangement of glaucoma, hypertension, angina pectoris and myocardial infarction, and for the prevention of migraine.


salbutamol

A member of the class of phenylethanolamines that is 4-(2-amino-1-hydroxyethyl)-2-(hydroxymethyl)phenol having a tert-butyl group attached to the nirogen atom. It acts as a beta-adrenergic agonist used in the treatment of asthma and chronic obstructive pulmonary disease (COPD).


terbutaline

A member of the class of phenylethanolamines that is catechol substituted at position 5 by a 2-(tert-butylamino)-1-hydroxyethyl group.


salmeterol

A phenol having a hydroxymethyl group at C-2 and a 1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl group at C-4; derivative of phenylethanolamine.


name: ADRB3_HUMAN Beta-3 adrenergic receptor (sprot)

description: A beta-3 adrenergic receptor that is encoded in the genome of human.


name: CP51_MYCTO Sterol 14alpha-demethylase (sprot)


fluconazole

A member of the class of  triazoles that is propan-2-ol substituted at position 1 and 3 by 1H-1,2,4-triazol-1-yl groups and at position 2 by a 2,4-difluorophenyl group. It is an antifungal drug used for the treatment of mucosal candidiasis and for systemic infections including systemic candidiasis, coccidioidomycosis, and cryptococcosis.


name: DHB2_HUMAN 17-beta-hydroxysteroid dehydrogenase type 2 (sprot)

description: A 17-beta-hydroxysteroid dehydrogenase type 2 that is encoded in the genome of human.


name: GBRG2_HUMAN Gamma-aminobutyric acid receptor subunit gamma-2 (sprot)

description: A gamma-aminobutyric acid receptor subunit gamma-2 that is encoded in the genome of human.


CAH3_HUMAN Carbonic anhydrase 3 (sprot)

A carbonic anhydrase 3 that is encoded in the genome of human.


CAH6_HUMAN Carbonic anhydrase 6 (sprot)

A carbonic anhydrase 6 that is encoded in the genome of human.


hydroflumethiazide

A benzothiadiazine consisting of a 3,4-dihydro-HH-1,2,4-benzothiadiazine bicyclic system dioxygenated on sulfur and carrying trifluoromethyl and aminosulfonyl groups at positions 6 and 7 respectively. A diuretic with actions and uses similar to those of hydrochlorothiazide.


quinethazone

A member of the class of quinazolines that is quinazolin-4-one substituted at positions 2, 6 and 7 by ethyl, sulfamoyl and chloro groups respectively; a thiazide-like diuretic used to treat hypertension.


metolazone

A quinazoline that consists of 1,2,3,4-tetrahydroquinazolin-4-one bearing additional methyl, 2-tolyl, sulfamyl and chloro substituents at positions 2, 3, 6 and 7 respectively. A quinazoline diuretic, with properties similar to thiazide diuretics.


indapamide

A sulfonamide formed by condensation of the carboxylic group of 4-chloro-3-sulfamoylbenzoic acid with the amino group of 2-methyl-2,3-dihydro-1H-indol-1-amine.


furosemide

A  chlorobenzoic acid that is 4-chlorobenzoic acid substituted by a (furan-2-ylmethyl)amino and a sulfamoyl group at position 2 and 5 respectively. It is a diuretic used in the treatment of congestive heart failure.


bumetanide

A member of the class of benzoic acids that is 4-phenoxybenzoic acid in which the hydrogens ortho to the phenoxy group are substituted by butylamino and sulfamoyl groups. Bumetanide is a diuretic, and is used for treatment of oedema associated with congestive heart failure, hepatic and renal disease.


name: CAH15_MOUSE Carbonic anhydrase 15 (sprot)

description: A carbonic anhydrase 15 that is encoded in the genome of mouse.


name: IKKA_HUMAN Inhibitor of nuclear factor kappa-B kinase subunit alpha (sprot)

description: An inhibitor of nuclear factor kappa-B kinase subunit alpha that is encoded in the genome of human.


name: IKKB_HUMAN Inhibitor of nuclear factor kappa-B kinase subunit beta (sprot)

description: An inhibitor of nuclear factor kappa-B kinase subunit beta that is encoded in the genome of human.


A member of the class of biphenyls that is the amide obtained by formal condensation of the carboxy group of 2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)[1,1'-biphenyl]-4-carboxylic acid with the amino group of 3-cyanoaniline.


name: PTPRC_HUMAN Receptor-type tyrosine-protein phosphatase C (sprot)

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


name: PTPRF_HUMAN Receptor-type tyrosine-protein phosphatase F (sprot)

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


A 6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine which adopts an R-configuration. It is a potent inhibitor of human EGFR, VEGFR and HER2 receptor tyrosine kinases and exhibits anticancer and antiangiogenic activity.


N-OXALYLGLYCINE

An amino dicarboxylic acid that is iminodiacetic acid with an oxo substituent. It is used as an inhibitor of alpha-ketoglutarate dependent (EC 1.14.11.*) enzymes.


name: KDM4E_HUMAN Lysine-specific demethylase 4E (sprot)

description: A lysine-specific demethylase 4E that is encoded in the genome of human.


compound 6a [PMID: 18942826]

A pyridinedicarboxylic acid carrying carboxy groups at positions 2 and 4.


PYRIDINE-2,5-DICARBOXYLIC ACID

A pyridinedicarboxylic acid carrying carboxy groups at positions 2 and 5.


DIPICOLINIC ACID

A pyridinedicarboxylic acid carrying two carboxy groups at positions 2 and 6.


succinic acid

An alpha,omega-dicarboxylic acid resulting from the formal oxidation of each of the terminal methyl groups of butane to the corresponding carboxy group. It is an intermediate metabolite in the citric acid cycle.


fumaric acid

A butenedioic acid in which the C=C double bond has E geometry. It is an intermediate metabolite in the citric acid cycle.


MGLL_HUMAN Monoglyceride lipase (sprot)

A monoglyceride lipase that is encoded in the genome of human.


phenol

An organic hydroxy compound that consists of benzene bearing a single hydroxy substituent. The parent of the class of phenols.


CATECHOL

A  benzenediol comprising of a benzene core carrying two hydroxy substituents ortho to each other.


resorcinol

A  benzenediol that is benzene dihydroxylated at positions 1 and 3.


hydroquinone

A benzenediol comprising benzene core carrying two hydroxy substituents para to each other.


salicylic acid

A monohydroxybenzoic acid that is benzoic acid with a hydroxy group at the ortho position. It is obtained from the bark of the white willow and wintergreen leaves.


PARABEN

A monohydroxybenzoic acid that is benzoic acid carrying a hydroxy substituent at C-4 of the benzene ring.


An amino phenol (one of the three possible isomers) which has the single amino substituent located para to the phenolic -OH group.


paracetamol

A member of the class of phenols that is 4-aminophenol in which one of the hydrogens attached to the amino group has been replaced by an acetyl group.


JAK inhibitor I

An organic heterotetracyclic compound that is 1,6-dihydrobenzo[h]imidazo[4,5-f]isoquinolin-7-one bearing additional tert-butyl and fluoro substituents at positions 2 and 9 respectively.


name: HRH2_HUMAN Histamine H2 receptor (sprot)

description: A histamine H2 receptor that is encoded in the genome of human.


flumazenil

An organic heterotricyclic compound that is 5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine which is substituted at positions 3, 5, 6, and 8 by ethoxycarbonyl, methyl, oxo, and fluoro groups, respectively. It is used as an antidote to benzodiazepine overdose.


zolpidem

An imidazo[1,2-a]pyridine compound having a 4-tolyl group at the 2-position, an N,N-dimethylcarbamoylmethyl group at the 3-position and a methyl substituent at the 6-position.


name: GBRA1_HUMAN Gamma-aminobutyric acid receptor subunit alpha-1 (sprot)

description: A gamma-aminobutyric acid receptor subunit alpha-1 that is encoded in the genome of human.


name: AK1C1_HUMAN Aldo-keto reductase family 1 member C1 (sprot)

description: An aldo-keto reductase family 1 member C1 that is encoded in the genome of human.


name: AK1C2_HUMAN Aldo-keto reductase family 1 member C2 (sprot)

description: An aldo-keto reductase family 1 member C2 that is encoded in the genome of human.


name: AK1C4_HUMAN Aldo-keto reductase family 1 member C4 (sprot)

description: An aldo-keto reductase family 1 member C4 that is encoded in the genome of human.


barasertib-hQPA

A member of the of quinazolines that is 4-aminoquinazolin-7-ol in which the amino group at position 4 has been substituted by a 5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl group, while the hydroxy group at position 7 has been converted into the corresponding 3-[ethyl(2-hydroxyethyl)aminopropyl ether.


name: PKR1_HUMAN Prokineticin receptor 1 (sprot)

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


name: PKR2_HUMAN Prokineticin receptor 2 (sprot)

description: A prokineticin receptor 2 that is encoded in the genome of human.


KISSR_HUMAN KiSS-1 receptor (sprot)

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


name: MURD_ECOLI UDP-N-acetylmuramoylalanine--D-glutamate ligase (sprot)

description: A UDP-N-acetylmuramoylalanine--D-glutamate ligase that is encoded in the genome of Escherichia coli K-12.


pazopanib

A pyrimidine that is 5-(pyrimidin-2-yl}amino-2-methylbenzenesulfonamide substituted at position 4 by a (2,3-dimethylindazol-6-yl)(methyl)amino group. Used as its hydrochloride salt for treatment of kidney cancer.


name: ADA17_PIG Disintegrin and metalloproteinase domain-containing protein 17 (sprot)


name: APEX1_HUMAN DNA repair nuclease/redox regulator APEX1 (sprot)

description: A DNA-(apurinic or apyrimidinic site) endonuclease that is encoded in the genome of human.


name: PIM2_HUMAN Serine/threonine-protein kinase pim-2 (sprot)

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


GOSSYPETIN

A hexahydroxyflavone having the hydroxy groups placed at the 3-, 3'-, 4'-, 5- 7- and 8-positions.


TRICETIN

Flavone hydroxylated at positions 3', 4', 5, 5' and 7.


morin

A pentahydroxyflavone that is 7-hydroxyflavonol bearing three additional hydroxy substituents at positions 2' 4' and 5.


GLABRANIN

A dihydroxyflavanone that is pinocembrin substituted by a prenyl group at position 8.


A hydroxyflavonoid in which the flavone nucleus is substituted at position 7 by a hydroxy group.


PINOCEMBRIN

A dihydroxyflavanone in which the two hydroxy groups are located at positions 5 and 7. A natural product found in Piper sarmentosum and Cryptocarya chartacea.


A member of the class of pyridones that is 2-pyridone carrying cyano, phenyl and 3-bromo-6-hydroxyphenyl substituents at positions 3, 4 and 6 respectively


name: FAAH1_MOUSE Fatty-acid amide hydrolase 1 (sprot)

description: A fatty-acid amide hydrolase 1 that is encoded in the genome of mouse.


MGLL_MOUSE Monoglyceride lipase (sprot)

A monoglyceride lipase that is encoded in the genome of mouse.


name: ABHD6_MOUSE Monoacylglycerol lipase ABHD6 (sprot)

description: A monoacylglycerol lipase ABHD6 that is encoded in the genome of mouse.


name: NCEH1_MOUSE Neutral cholesterol ester hydrolase 1 (sprot)

description: A neutral cholesterol ester hydrolase 1 that is encoded in the genome of mouse.


name: Carbamic acid, N-[6-(2-methyl-4,5-diphenyl-1H-imidazol-1-yl)hexyl]-, 2-fluorophenyl ester


name: [1-Isopropyl-6-(2-methyl-4,5-diphenyl-imidazol-1-yl)-hexyl]-carbamic acid 2-fluoro-phenyl ester


MMP10_HUMAN Stromelysin-2 (sprot)

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


name: ITK_HUMAN Tyrosine-protein kinase ITK/TSK (sprot)

description: A tyrosine-protein kinase ITK/TSK that is encoded in the genome of human.


name: 2-Aminobenzimidazole with trans-stilbene, 8b


name: 2-Aminobenzimidazole with trans-stilbene, 8c


name: 2-Aminobenzimidazole with trans-stilbene, 8e


name: 2-Aminobenzimidazole with trans-stilbene, 8f


name: 2-Aminobenzimidazole with trans-stilbene, 8g


name: 2-Aminobenzimidazole with trans-stilbene, 8a


name: 2-Aminobenzimidazole with trans-stilbene, 8d


name: 2-Aminobenzimidazole with trans-stilbene, 8h


name: 2-Aminobenzimidazole with trans-stilbene, 8i


name: 2-Aminobenzimidazole with trans-stilbene, 8j


name: 2-Aminobenzimidazole with trans-stilbene, 8k


name: 2-Aminobenzimidazole with trans-stilbene, 8l


name: 2-Aminobenzimidazole with trans-stilbene, 8m


name: 2-Aminobenzimidazole with trans-stilbene, 8n


name: 2-Aminobenzimidazole with trans-stilbene, 8p


name: 2-Aminobenzimidazole with trans-stilbene, 8q


name: 2-Aminobenzimidazole with trans-stilbene, 8r


name: 2-Aminobenzimidazole with trans-stilbene, 8s


name: 2-Aminobenzimidazole with trans-stilbene, 8t


name: 2-Aminobenzimidazole with trans-stilbene, 8u


name: 2-Aminobenzimidazole with trans-stilbene, 8v


name: 2-Aminobenzimidazole with trans-stilbene, 8w


name: 2-Aminobenzimidazole with trans-stilbene, 8x


name: 2-Aminobenzimidazole with trans-stilbene, 9c


name: 2-Aminobenzimidazole with trans-stilbene, 9d


name: 2-Aminobenzimidazole with trans-stilbene, 9e


name: 2-Aminobenzimidazole with trans-stilbene, 9f


name: 2-Aminobenzimidazole with trans-stilbene, 9b


name: 2-Aminobenzimidazole with trans-stilbene, 9h


name: OPRD_RAT Delta-type opioid receptor (sprot)

description: A delta-type opioid receptor that is encoded in the genome of rat.


name: OPRK_RAT Kappa-type opioid receptor (sprot)

description: A kappa-type opioid receptor that is encoded in the genome of rat.


chloride

A halide anion formed when chlorine picks up an electron to form an an anion.


cyanates

Salts and esters of cyanic acid, HOC#N; compounds carrying the cyanate functional group -O-C#N.


thiocyanate

A pseudohalide anion obtained by deprotonation of the thiol group of thiocyanic acid.


cyanide

A pseudohalide anion that is the conjugate base of hydrogen cyanide.


azide

Any nitrogen molecular entity containing the group -N3.


hydrogencarbonate

The carbon oxoanion resulting from the removal of a proton from carbonic acid.


nitrate

A nitrogen oxoanion formed by loss of a proton from nitric acid. Principal species present at pH 7.3.


nitrite

The nitrogen oxoanion formed by loss of a proton from nitrous acid.


sulfate

A sulfur oxoanion obtained by deprotonation of both OH groups of sulfuric acid.


SULFAMATE

The simplest of the sulfamic acids consisting of a single sulfur atom covalently bound by single bonds to hydroxy and amino groups and by double bonds to two oxygen atoms.


SULFAMIDE

The simplest of the sulfamic acids consisting of a single sulfur atom covalently bound by single bonds to two amino groups and by double bonds to two oxygen atoms.


trichlormethiazide

A benzothiadiazine, hydrogenated at positions 2, 3 and 4 and substituted with an aminosulfonyl group at C-7, a chloro substituent at C-6 and a dichloromethyl group at C-3 and with S-1 as an S,S-dioxide. A sulfonamide antibiotic, it is used as a diuretic to treat oedema (including that associated with heart failure) and hypertension.


name: Ketoamide derived macrocyclic inhibitor, 39


name: Ketoamide derived macrocyclic inhibitor, 40


name: Ketoamide derived macrocyclic inhibitor, 41


name: Ketoamide derived macrocyclic inhibitor, 42


name: Ketoamide derived macrocyclic inhibitor, 43


name: Ketoamide derived macrocyclic inhibitor, 44


name: Ketoamide derived macrocyclic inhibitor, 47


name: Ketoamide derived macrocyclic inhibitor, 48


name: Ketoamide derived macrocyclic inhibitor, 49


name: PARP1_HUMAN Poly [ADP-ribose] polymerase 1 (sprot)

description: A poly [ADP-ribose] polymerase 1 that is encoded in the genome of human.


veliparib

A benzimidazole substituted with a carbamoyl group at C-4 and a (2R)-2-methylpyrrolidin-2-yl moiety at C-2.  It is a potent, orally bioavailable PARP inhibitor.


conessine

A steroid alkaloid that is con-5-enine substituted by a N,N-dimethylamino group at position 3. It has been isolated from the plant species of the family Apocynaceae.


CNR1_RAT Cannabinoid receptor 1 (sprot)

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


name: CDC7_HUMAN Cell division cycle 7-related protein kinase (sprot)

description: A cell division cycle 7-related protein kinase that is encoded in the genome of human.


name: IKKE_HUMAN Inhibitor of nuclear factor kappa-B kinase subunit epsilon (sprot)

description: An inhibitor of nuclear factor kappa-B kinase subunit epsilon that is encoded in the genome of human.


A member of the class of phenanthridines that is 5,6-dihydrophenanthridine substituted at positions 2 and 6 by (N,N-dimethylglycyl)amino and oxo groups, respectively. It is a potent inhibitor of poly(ADP-ribose) polymerases PARP1 and PARP2 (IC50 of 110 nM and 86 nM, respectively) and exhibits anti-cancer, cardioprotective and neuroprotective properties.


phenanthridone

A member of the class of phenanthridines that is phenanthridine with an oxo substituent at position 6. A poly(ADP-ribose) polymerase (PARP) inhibitor, it has been shown to exhibit immunosuppressive activity.


An isoquinolinol that is isoquinoline in which the hydrogens at positions 1 and 5 are replaced by hydroxy groups.


A substituted aniline that is benzamide in which one of the meta- hydrogens is replaced by an amino group.


nicotinamide

A pyridinecarboxamide that is pyridine in which the hydrogen at position 3 is replaced by a carboxamide group.


name: PARP2_MOUSE Poly [ADP-ribose] polymerase 2 (sprot)

description: A poly [ADP-ribose] polymerase 2 that is encoded in the genome of mouse.


olaparib

A member of the class of N-acylpiperazines obtained by formal condensation of the carboxy group of 2-fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzoic acid with the free amino group of N-(cyclpropylcarbonyl)piperazine; used to treat advanced ovarian cancer.


name: TNKS1_HUMAN Poly [ADP-ribose] polymerase tankyrase-1 (sprot)

description: A poly [ADP-ribose] polymerase tankyrase-1 that is encoded in the genome of human.


name: CARM1_MOUSE Histone-arginine methyltransferase CARM1 (sprot)

description: A histone-arginine methyltransferase CARM1 that is encoded in the genome of mouse.


name: FLT3_HUMAN Receptor-type tyrosine-protein kinase FLT3 (sprot)

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


5-fluorouridine 5'-monophosphate

A pyrimidine ribonucleoside 5'-monophosphate having 5-fluorouracil as the pyrimidine component.


name: UMPS_HUMAN Uridine 5'-monophosphate synthase (sprot)

description: A uridine 5'-monophosphate synthase that is encoded in the genome of human.


name: DGAT1_RAT Diacylglycerol O-acyltransferase 1 (sprot)

description: A diacylglycerol O-acyltransferase 1 that is encoded in the genome of rat.


name: SOAT1_HUMAN Sterol O-acyltransferase 1 (sprot)

description: A sterol O-acyltransferase 1 that is encoded in the genome of human.


clenbuterol

A substituted aniline that is 2,6-dichloroaniline in which the hydrogen at position 4 has been replaced by a 2-(tert-butylamino)-1-hydroxyethyl group.


ractopamine

A diastereoisomeric mixture of approximately equal amounts of all four possible diastereoisomers of 4-(1-hydroxy-2-{[4-(4-hydroxyphenyl)butan-2-yl]amino}ethyl)phenol. A beta-adrenergic agonist, it is used (generally as the hydrochloride salt) as a feed additive for use in pigs and other livestock to promote protein deposition, resulting in leaner meat. The R,R diastereoisomer, butopamine, is responsible for most of the leanness-enhancing effects. While use of ractopamine has been banned in over 120 countries including throughout the EU, in the US it used in an estimated 80% of all beef, pork and turkey production.


ICI 118551

An indane substituted at position 7 by a methyl group and at position 4 by a 3-(isopropylamino)-2-hydroxybutoxy group (the 2R,3S-diastereomer).


name: ERBB4_HUMAN Receptor tyrosine-protein kinase erbB-4 (sprot)

description: A receptor tyrosine-protein kinase erbB-4 that is encoded in the genome of human.


name: CASR_HUMAN Extracellular calcium-sensing receptor (sprot)

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


name: TYTR_TRYCR Trypanothione reductase (sprot)


name: TYTR_TRYBB Trypanothione reductase (sprot)


(+)-EHNA

EHNA of absolute configuration 2S,3R.


name: DCAM_HUMAN S-adenosylmethionine decarboxylase proenzyme (sprot)

description: A SAM decarboxylase proenzyme that is encoded in the genome of human.


name: 5HT1B_HUMAN 5-hydroxytryptamine receptor 1B (sprot)

description: A 5-hydroxytryptamine receptor 1B that is encoded in the genome of human.


name: 2-[[2-[2-(4-methoxyanilino)-2-oxoethyl]-1-oxo-5-isoquinolinyl]oxy]propanoic acid ethyl ester


An aromatic ether that is phenoxyacetic acid in which the phenyl group is substituted at position 2 by a methyl group and at position 4 by a (1,3-thiazol-5-ylmethyl)sulfanediyl group, and in which the 1,3-thiazolyl group is substituted at positions 2 and 4 by p-trifluoromethylphenyl and methyl groups, respectively.


clofibric acid

A monocarboxylic acid that is isobutyric acid substituted at position 2 by a p-chlorophenoxy group. It is a metabolite of the drug clofibrate.


fenofibric acid

A monocarboxylic acid that is 2-methylpropanoic acid substituted by a 4-(4-chlorobenzoyl)phenoxy group at position 2. It is a metabolite of the drug fenofibrate.


bezafibrate

A monocarboxylic acid amide obtained by the formal condensation of the carboxy group of 4-chlorobenzoic acid with the amino group of 2-[4-(2-aminoethyl)phenoxy]-2-methylpropanoic acid. Benafibrate is used for the treatment of hyperlipidaemia.


name: PPARA_MOUSE Peroxisome proliferator-activated receptor alpha (sprot)

description: A peroxisome proliferator-activated receptor alpha that is encoded in the genome of mouse.


name: PPARA_RAT Peroxisome proliferator-activated receptor alpha (sprot)

description: A peroxisome proliferator-activated receptor alpha that is encoded in the genome of rat.


PSN1_HUMAN Presenilin-1 (sprot)

A presenilin-1 that is encoded in the genome of human.


name: SIR1_HUMAN NAD-dependent protein deacetylase sirtuin-1 (sprot)

description: An NAD-dependent protein deacetylase sirtuin-1 that is encoded in the genome of human.