name: ACVR1_MOUSE Activin receptor type-1 (sprot)

description: An activin receptor type-1 that is encoded in the genome of mouse.


name: BMR1A_MOUSE Bone morphogenetic protein receptor type-1A (sprot)

description: A BMP receptor type-1A that is encoded in the genome of mouse.


name: ACV1B_MOUSE Activin receptor type-1B (sprot)

description: An activin receptor type-1B that is encoded in the genome of mouse.


name: TGFR1_MOUSE TGF-beta receptor type-1 (sprot)

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


name: N-(4-Bromophenyl)carbamic Acid 1-azabicyclo[2.2.2]octan-3-yl Ester


name: (E)-3-(2-methoxy-6-(3-methoxyphenyl)naphthalene-1-yl)acrylic acid ethyl ester


coumestrol

A member of the class of coumestans that is coumestan with hydroxy substituents at positions 3 and 9.


daidzein

A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone substituted by an additional hydroxy group at position 4'.


vaniprevir

An azamacrocyclic compound that is a hepatitis C virus (HCV) NS3/4A protease inhibitor which is approved for the treatment of hepatitis C virus infections in Japan.


name: KDM4A_HUMAN Lysine-specific demethylase 4A (sprot)

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


name: KDM4C_HUMAN Lysine-specific demethylase 4C (sprot)

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


name: KDM2A_HUMAN Lysine-specific demethylase 2A (sprot)

description: A lysine-specific demethylase 2A that is encoded in the genome of human.


name: KDM5C_HUMAN Lysine-specific demethylase 5C (sprot)

description: A lysine-specific demethylase 5C that is encoded in the genome of human.


name: PARP3_HUMAN Protein mono-ADP-ribosyltransferase PARP3 (sprot)

description: A protein mono-ADP-ribosyltransferase PARP3 that is encoded in the genome of human.


name: PKH2_CANAL Serine/threonine-protein kinase PKH2 (sprot)

description: A protein that is a translation product of the PKH2 gene in Candida albicans SC5314.


A secondary carboxamide resulting from the formal condensation of the carboxy group of 4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoic acid with the primary amino group of N(3)-[(4-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-4-methylbenzene-1,3-diamine. It is a potent inhibitor of discoidin domain receptor tyrosine kinase 1 and 2 (DDR1/2) with IC50 = 47 nM and 145 nM, respectively.


A secondary carboxamide resulting from the formal condensation of the carboxy group of 4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoic acid with the amino group of 5-(5-amino-2-methylphenoxy)-1,3-dihydro-2H-indol-2-one. It is a potent inhibitor of discoidin domain receptor tyrosine kinase 1 and 2 (DDR1/2) with IC50 = 105 nM and 413 nM, respectively.


CFAD_HUMAN Complement factor D (sprot)

A complement factor D that is encoded in the genome of human.


name: ENPP2_MOUSE Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (sprot)

description: An ectonucleotide pyrophosphatase/phosphodiesterase family member 2 that is encoded in the genome of mouse.


name: Monosubstituted aryl-Me ATX inhibitor 10


name: NGAL_HUMAN Neutrophil gelatinase-associated lipocalin (sprot)

description: A neutrophil gelatinase-associated lipocalin that is encoded in the genome of human.


enzalutamide

A benzamide obtained by formal condensation of the carboxy group of 4-{3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxoimidazolidin-1-yl}-2-fluorobenzoic acid with methylamine. Used for the treatment of of metastatic castration-resistant prostate cancer.


name: IRAK4_HUMAN Interleukin-1 receptor-associated kinase 4 (sprot)

description: An interleukin-1 receptor-associated kinase 4 that is encoded in the genome of human.


name: DYRK2_HUMAN Dual specificity tyrosine-phosphorylation-regulated kinase 2 (sprot)

description: A dual specificity tyrosine-phosphorylation-regulated kinase 2 that is encoded in the genome of human.


DPOLB_HUMAN DNA polymerase beta (sprot)

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


name: DPOLL_HUMAN DNA polymerase lambda (sprot)

description: A DNA polymerase lambda that is encoded in the genome of human.


ACOD1_RAT Acyl-CoA desaturase 1 (sprot)

An acyl-CoA desaturase 1 that is encoded in the genome of rat.


name: PIM3_RAT Serine/threonine-protein kinase pim-3 (sprot)

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


idelalisib

A member of the class of quinazolines that is 5-fluoro-3-phenylquinazolin-4-one in which the hydrogen at position 2 is replaced by a (1S)-1-(3H-purin-6-ylamino)propyl group. used for for the treatment of refractory indolent non-Hodgkin's lymphoma and relapsed chronic lymphocytic leukemia.


name: PCP_HUMAN Lysosomal Pro-X carboxypeptidase (sprot)

description: A lysosomal Pro-X carboxypeptidase that is encoded in the genome of human.


mirdametinib

A hydroxamic acid ester that is benzhydroxamic acid (N-hydroxybenzamide) in which the hydroxamic acid group has been converted to the corresponding 2,3-dihydroxypropyl ester and in which the benzene ring has been substituted at position 2 by a (2-fluoro-4-iodophenyl)amino group and at positions 3 and 4 by fluorines (the R enantiomer).


name: 4-[4-(8-Benzyloxy-imidazo[1,2-a]pyridine-3-yl)-pyrimidin-2-ylamino]-cyclohexanecarboxylic acid ethyl ester


name: PA_I80A6 Polymerase acidic protein (sprot)

description: An influenza A virus polymerase acidic protein that is encoded in the genome of the H3N8 strain A/Duck/Hokkaido/8/1980.


A member of the class of chalcones that is trans-chalcone hydroxylated at C-2' and -4'.


name: RET4_HUMAN Retinol-binding protein 4 (sprot)

description: A retinol-binding protein 4 that is encoded in the genome of human.


name: XDH_BOVIN Xanthine dehydrogenase/oxidase (sprot)

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


name: LOX12_HUMAN Polyunsaturated fatty acid lipoxygenase ALOX12 (sprot)

description: A polyunsaturated fatty acid lipoxygenase ALOX12 that is encoded in the genome of human.


name: LOX15_HUMAN Polyunsaturated fatty acid lipoxygenase ALOX15 (sprot)

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


name: LX15B_HUMAN Polyunsaturated fatty acid lipoxygenase ALOX15B (sprot)

description: A polyunsaturated fatty acid lipoxygenase ALOX15B that is encoded in the genome of human.


name: TRXB_ECOLI Thioredoxin reductase (sprot)

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


A pyrrolotriazine that is pyrrolo[2,1-f][1,2,4]triazine which is substituted at position 2 by the pyrrolidine nitrogen of (2S)-N-(6-fluoropyridin-3-yl)-2-methylprolinamide, and at position 4 by a (5-cyclopropyl-1H-pyrazol-3-yl)amino group. It is a potent, reversible inhibitor of the insulin-like growth factor 1 receptor/insulin receptor family kinases.


name: (rac)-2-(1-{[1-(2,2,2-Trifluoro-acetylamino)-cyclopropanecarbonyl]-amino}-indan-5-yl)-benzoic acid methyl ester


KNG1_HUMAN Kininogen-1 (sprot)

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


name: Trans-{4-[2-(4-Benzo[1,3]dioxol-4-yl-piperidin-1-yl)-ethyl]-cyclohexyl}-carbamic acid methyl ester


name: US8722895, 6: [(3-Hydroxy-5-(4-methylphenyl)-pyridine-2-carbonyl)-amino]-acetic acid methyl ester


name: US8722895, 7: {[5-(2-Chloro-phenyl)-3-hydroxy-pyridine-2-carbonyl]-amino}-acetic acid methyl ester


name: US8722895, 9: {[5-(4-Chlorophenyl)-3-hydroxypyridine-2-carbonyl]amino}-acetic acid


name: US8722895, 13: {[5-(4-Isopropylphenyl)-3-hydroxypyridine-2-carbonyl]amino}-acetic acid


name: US8722895, 14: {[5-(4-Chlorophenyl)-3-hydroxypyridine-2-carbonyl]amino}-acetic acid


name: US8722895, 15: {[5-(4-Isopropoxyphenyl)-3-hydroxypyridine-2-carbonyl]amino}-acetic acid


name: US8722895, 16: {[5-(2-Methyl-5-chlorophenyl)-3-hydroxypyridine-2-carbonyl]amino}-acetic acid


name: US8722895, 17: 5-(3-Chlorophenyl)-N-(2-methylamino-2-oxoethyl)-3-hydroxypyridin-2-yl amide


name: {[5-(3-Cyano-phenyl)-3-hydroxy-pyridine-2-carbonyl]-amino}acetic acid methyl ester


name: US8722895, 19: ({3-Hydroxy-5-[3-(2H-tetrazol-5-yl)-phenyl]-pyridine-2-carbonyl}-amino)-acetic acid methyl ester


name: US8722895, 21: {[5-(3-Carbamoyl-phenyl)-3-hydroxy-pyridine-2-carbonyl]-amino}-acetic acid methyl ester


name: ({3-Hydroxy-5-[3-(pyrrolidine-1-carbonyl)-phenyl]-pyridine-2-carbonyl}-amino)-acetic acid methyl ester


name: US8722895, 23: ({3-Hydroxy-5-[3-(pyrrolidine-1-carbonyl)phenyl]-pyridine-2-carbonyl}amino)-acetic acid


name: US8722895, 24: ({3-Hydroxy-5-[3-(2H-tetrazol-5-yl)phenyl]-pyridine-2-carbonyl}-amino)-acetic acid


name: ({5-[3-(Cyclopropanecarbonyl-amino)-phenyl]-3-hydroxy-pyridine-2-carbonyl}-amino)-acetic acid methyl ester


name: AADAT_HUMAN Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial (sprot)

description: A kynurenine/alpha-aminoadipate aminotransferase, mitochondrial that is encoded in the genome of human.


VANILLIC ACID

A monohydroxybenzoic acid that is 4-hydroxybenzoic acid substituted by a methoxy group at position 3.


oleanolic acid

A pentacyclic triterpenoid that is olean-12-en-28-oic acid substituted by a beta-hydroxy group at position 3.


name: 4-((4-((2,3-dimethyl-2H-indazole-6-yl)(methyl) amino)pyrimidin-2-yl)amino) benzenesulfonamide (P2b)


name: 4-((4-((2,3-dimethyl-2H-indazole-6-yl)amino) pyrimidin-2-yl)amino)-N-(pyrimidin-2-yl) benzenesulfonamide (P1c)


name: 4-((4-((2,3-dimethyl-2H-indazole-6-yl)(methyl) amino)pyrimidin-2-yl)amino)-N-(pyrimidin-2-yl) benzenesulfonamide (P2c)


name: 4-((4-((2,3-dimethyl-2H-indazole-6-yl)amino) pyrimidin-2-yl)amino)-N-(4-methylpyrimidin-2-yl) benzenesulfonamide (P1d)


name: 4-((4-((2,3-dimethyl-2H-indazole-6-yl)amino) pyrimidin-2-yl)amino)-N-(5-methylisoxazol-3-yl) benzenesulfonamide (P1f)


name: SCMU_MYCTU Secreted chorismate mutase (sprot)

description: A protein that is a translation product of the Rv1885c gene in Mycobacterium tuberculosis H37Rv.


name: MALX3_YEAST Oligo-1,6-glucosidase IMA1 (sprot)

description: A protein that is a translation product of the IMA1 gene in yeast.


BGAL_BOVIN Beta-galactosidase (sprot)

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


NITROSOBENZENE

A nitroso compound that is the nitroso derivative of benzene; a diamagnetic hybrid of singlet O2 and azobenzene.


name: DXS_ECOLI 1-deoxy-D-xylulose-5-phosphate synthase (sprot)

description: A 1-deoxy-D-xylulose-5-phosphate synthase that is encoded in the genome of Escherichia coli K-12.


A member of the class of dimethylanilines that is N,N-dimethylaniline having a nitroso group at the 4-position.


H10_HUMAN Histone H1.0 (sprot)

A histone H1.0 that is encoded in the genome of human.


name: C9JQD8_HUMAN Adenosine receptor A2 (Fragment) (trembl)


name: AL3A1_HUMAN Aldehyde dehydrogenase, dimeric NADP-preferring (sprot)

description: An aldehyde dehydrogenase, dimeric NADP-preferring that is encoded in the genome of human.


name: AL1A1_HUMAN Aldehyde dehydrogenase 1A1 (sprot)

description: An aldehyde dehydrogenase 1A1 that is encoded in the genome of human.


name: TAAR1_RAT Trace amine-associated receptor 1 (sprot)

description: A protein that is a translation product of the Taar1 gene in rat.


ENTK_HUMAN Enteropeptidase (sprot)

An enteropeptidase that is encoded in the genome of human.


ANABASINE

The (S)-enantiomer of anabasine.


MYOSMINE

A member of the class of pyridines that is pyridine substituted by a 3,4-dihydro-2H-pyrrol-5-yl group at position 3. It is an alkaloid found in tobacco plants and exhibits genotoxic effects.


cotinine

An N-alkylpyrrolidine that consists of N-methylpyrrolidinone bearing a pyridin-3-yl substituent at position C-5 (the 5S-enantiomer). It is an alkaloid commonly found in Nicotiana tabacum.


acetohydroxamic acid

A member of the class of acetohydroxamic acids that is acetamide in which one of the amino hydrogens has been replaced by a hydroxy group.


name: CAN1_HUMAN Calpain-1 catalytic subunit (sprot)

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


name: CAN2_HUMAN Calpain-2 catalytic subunit (sprot)

description: A calpain-2 catalytic subunit that is encoded in the genome of human.


name: 5-{4-[3-(2-Fluoro-5-methyl-phenylcarbamoyl)-phenoxy]-pyridin-2-yl}-1H-pyrrole-3-carboxylic acid methyl ester


ortho-vanillin

A member of the class of benzaldehydes that is  salicylaldehyde substituted by a methoxy group at position 3.


A member of the class of benzaldehydes carrying hydroxy and methoxy substituents at positions 2 and 5 respectively.


name: RNAS1_HUMAN Ribonuclease pancreatic (sprot)

description: A ribonuclease pancreatic that is encoded in the genome of human.


ANGI_HUMAN Angiogenin (sprot)

An angiogenin that is encoded in the genome of human.


name: BCR_HUMAN Breakpoint cluster region protein (sprot)

description: A breakpoint cluster region protein that is encoded in the genome of human.


name: 4-Methyl-3-(4-(pyridin-3-yl) pyrimidin-2-ylamino)-N-(3-(trifluoro methyl) phenyl) benzamide (A2)


name: N-(3, 4-dichlorophenyl)-4-methyl-3-(4-(pyridin-3-yl) pyrimidin-2-yl amino) benzamide (A3)


name: N-(4-methoxyphenyl)-4-methyl-3-(4-(pyridin-3-yl) pyrimidin-2-yl amino) benzamide (A4)


name: N-(4-bromophenyl)-4-methyl-3-(4-(pyridin-3-yl) pyrimidin-2-ylamino) benzamide (A5)


name: N-(2-fluorophenyl)-4-methyl-3-(4-(pyridin-3-yl) pyrimidin-2-ylamino) benzamide (A6)


name: N-(3-fluorophenyl)-4-methyl-3-(4-(pyridin-3-yl) pyrimidin-2-ylamino) benzamide (A7)


name: N-(3,5-bis(trifluoromethyl) phenyl)-4-methyl-3-(4-(pyridin-3-yl) pyrimidin-2-ylamino) benzamide (A8)


name: 4-Methyl-3-(4-(pyridin-3-yl) pyrimidin-2-ylamino)-N-p-tolyl benzamide (A10)


name: N-(2, 6-dimethylphenyl)-4-methyl-3-(4-(pyridin-3-yl) pyrimidin-2-yl amino) benzamide (A12)


name: N-(3-acetylphenyl)-4-methyl-3-(4-(pyridin-3-yl) pyrimidin-2-ylamino) benzamide (A13)


name: N-(3-methoxyphenyl)-4-methyl-3-(4-(pyridin-3-yl) pyrimidin-2-yl amino) benzamide (A14)


name: 4-Methyl-3-(4-(pyridin-3-yl) pyrimidin-2-ylamino)-N-(pyridin-4-yl) benzamide (A15)


name: 4-Methyl-N-(pyridin-3-yl)-3-(4-(pyridin-3-yl) pyrimidin-2-ylamino) benzamide (A16)


name: 4-Methyl-N-(pyridin-2-yl)-3-(4-(pyridin-3-yl) pyrimidin-2-ylamino) benzamide (A17)


name: N-(5-chloropyridin-2-yl)-4-methyl-3-(4-(pyridin-3-yl) pyrimidin-2-yl amino) benzamide (A18)


name: 4-Methyl-3-(4-(pyridin-3-yl) pyrimidin-2-ylamino)-N-(pyrimidin-2-yl) benzamide (A19)


name: 4-Methyl-3-(4-(pyridin-3-yl) pyrimidin-2-ylamino)-N-(thiazol-2-yl) benzamide (A20)


name: N-(4-(3-(dimethylamino)propoxy) phenyl)-4-methyl-3-(4-(pyridin-3-yl) pyrimidin-2-ylamino) benzamide (A21)


name: 4-Methyl-N-(4-(2-morpholinoethoxy) phenyl)-3-(4-(pyridin-3-yl) pyrimidin-2-ylamino) benzamide (A26)


CDD_HUMAN Cytidine deaminase (sprot)

A cytidine deaminase that is encoded in the genome of human.


name: PTGES_HUMAN Prostaglandin E synthase (sprot)

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


dacomitinib

A member of the class of quinazolines that is 7-methoxyquinazoline-4,6-diamine in which the amino group at position 4 is substituted by a 3-chloro-4-fluorophenyl group and the amino group at position 6 is substituted by an (E)-4-(piperidin-1-yl)but-2-enoyl group.


name: FABI_STAA8 Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI (sprot)


name: CGL_HUMAN Cystathionine gamma-lyase (sprot)

description: A cystathionine gamma-lyase that is encoded in the genome of human.


cyclobenzaprine

5-Methylidene-5H-dibenzo[a,d]cycloheptene in which one of the hydrogens of the methylidene group is substituted by a 2-(dimethylamino)ethyl group. A centrally acting skeletal muscle relaxant, it is used as its hydrochloride salt in the symptomatic treatment of painful muscle spasm.


CYH3_HUMAN Cytohesin-3 (sprot)

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


name: A. Synthesis of 6'-bromospiro[cyclohexane-1,2'-indene]-1',4(3'H)-dione


PI3K/mTOR Kinase Inhibitor PF-04691502 is an agent targeting the phosphatidylinositol 3 kinase (PI3K) and mammalian target of rapamycin (mTOR) in the PI3K/mTOR signaling pathway, with potential antineoplastic activity.


name: BCL2_MOUSE Apoptosis regulator Bcl-2 (sprot)

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


name: AGAL_HUMAN Alpha-galactosidase A (sprot)

description: An alpha-galactosidase A that is encoded in the genome of human.


A dibenzopyran that is Delta(9)-tetrahydrocannabinol which is lacking the hydroxy group and in which the pentyl group at position 3 has been replaced by a 1,1-dimethylbutyl group. A potent and highly selective CB2 receptor agonist.


name: PVDQ_PSEAE Acyl-homoserine lactone acylase PvdQ (sprot)


name: 2-(thiophen-2-ylsulfonylamino)benzoic acid [2-(3-acetylanilino)-2-oxo-1-phenylethyl] ester


name: 4-(1H-benzimidazol-2-ylthio)butanoic acid [2-oxo-2-(4-phenoxyanilino)ethyl] ester


name: 3-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester


marimastat

A secondary carboxamide resulting from the foraml condensation of the carboxy group of (2R)-2-[(1S)-1-hydroxy-2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoic acid with the alpha-amino group of N,3-dimethyl-L-valinamide.


name: ADA10_HUMAN Disintegrin and metalloproteinase domain-containing protein 10 (sprot)

description: A disintegrin and metalloproteinase domain-containing protein 10 that is encoded in the genome of human.


name: 2-[(2,6-dichlorophenyl)sulfonylamino]-3-methylbutanoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester


name: 2,2-Dichloro-1-methyl-cyclopropanecarboxylic acid [2-[[4-(2,5-dimethoxyphenyl)thiazol-2-yl]amino]-2-keto-ethyl] ester


name: 6-[(3-Fluorophenyl)methyl]-3-(2-naphthalenyl)-1,1-dioxo-2,3-dihydro-1,2,6-thiadiazine-4-carboxylic acid ethyl ester


name: TYDP2_HUMAN Tyrosyl-DNA phosphodiesterase 2 (sprot)

description: A tyrosyl-DNA phosphodiesterase 2 that is encoded in the genome of human.


name: 3a,8b-dihydroxy-4-keto-2-methyl-1H-indeno[1,2-b]pyrrole-3-carboxylic acid ethyl ester


name: 2-furancarboxylic acid [2-ethoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-4-pyrazolylidene)methyl]phenyl] ester


name: 1-Butyl-2-(toluene-4-sulfonylamino)-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylic acid ethyl ester


name: 4-[4-(Dimethylamino)benzylidene]-1-methyl-pyrazol[1,5-a]indol-1-ium-2-carboxylic acid ethyl ester;triflate


EUFLAVINE

The cation obtained from 3,6-diaminoacridine by methylation of the nitrogen at position 10.


name: PLCB3_HUMAN 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3 (sprot)

description: A 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3 that is encoded in the genome of human.


name: pyrazinic acid [(1S,2R,3S)-1''-benzyl-2-(hydrocinnamoylamino)-2''-keto-spiro[cyclohexane-3,3''-indoline]-1-yl] ester


name: PLCG1_HUMAN 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 (sprot)

description: A 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 that is encoded in the genome of human.


PRIO_HUMAN Major prion protein (sprot)

A PRNP gene translation product (human) that is encoded by the major prion protein open reading frame, as opposed to the alternate reading frame.


name: (2-Ethyl-quinazolin-4-ylsulfanyl)-acetic acid ethyl ester


name: (6-Fluoro-2-phenyl-quinazolin-4-ylsulfanyl)-acetic acid methyl ester


name: (2-Phenyl-quinazolin-4-ylsulfanyl)-acetic acid ethyl ester


name: (6-Fluoro-2-phenyl-quinazolin-4-ylsulfanyl)-acetic acid ethyl ester


HAEMATOXYLIN

An organic heterotetracyclic compound 7,11b-dihydroindeno[2,1-c]chromene carrying five hydroxy substituents at positions 3, 4, 6a, 9 and 10. The most important and most used dye in histology, histochemistry, histopathology and in cytology.


name: 2-[[2-(phenoxymethyl)-4-quinazolinyl]thio]acetic acid methyl ester


name: (2-Phenoxymethyl-quinazolin-4-ylsulfanyl)-acetic acid ethyl ester


name: PA2G3_HUMAN Group 3 secretory phospholipase A2 (sprot)

description: A group 3 secretory phospholipase A2 that is encoded in the genome of human.


An isochromene that is 3,4-dihydroisochromene-5,6-diol bearing additional aminomethyl and 1-adamantyl substituents at positions 1 and 3 respectively (the 1R,3S-diastereomer). Potent and selective dopamine D1-like receptor agonist (pEC50 values are 8.97 and < 5 for D1-like and D2-like receptors respectively). Displays anti-Parkinsonian activity following oral administration in vivo.


name: 4-[4-(2-Hydroxy-3-piperidino-propoxy)benzyl]piperazine-1-carboxylic acid ethyl ester


dobutamine

A  catecholamine that is 4-(3-aminobutyl)phenol in which one of the hydrogens attached to the nitrogen is substituted by a 2-(3,4-dihydroxyphenyl)ethyl group. A beta1-adrenergic receptor agonist that has cardiac stimulant action without evoking vasoconstriction or tachycardia, it is used as the hydrochloride to increase the contractility of the heart in the management of acute heart failure.


name: 5HT2A_MOUSE 5-hydroxytryptamine receptor 2A (sprot)

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


name: MBD2_HUMAN Methyl-CpG-binding domain protein 2 (sprot)

description: A methyl-CpG-binding domain protein 2 that is encoded in the genome of human.


name: 4-(3-Dimethylamino-propylamino)-benzo[h]quinoline-3-carboxylic acid ethyl ester


name: FIBB_HUMAN Fibrinogen beta chain (sprot)

description: A fibrinogen beta chain that is encoded in the genome of human.


DCR1C_HUMAN Protein artemis (sprot)

A protein artemis that is encoded in the genome of human.


name: DAF12_CAEEL Nuclear hormone receptor family member daf-12 (sprot)

description: A protein that is a translation product of the daf-12 gene in worm.


name: 2-[(5-chloro-2-thiophenyl)-oxomethyl]imino-3,4-dimethyl-5-thiazolecarboxylic acid ethyl ester


broxuridine

A pyrimidine 2'-deoxyribonucleoside compound having 5-bromouracil as the nucleobase.


A member of the class of quinazolines that is quinazoline-2,4-diamine in which one of the hydrogens attached to the amino group at position 2 is replaced by a 3-chloro-4-methylphenyl group. It has been found to stimulate the immune defences of the nematode Caenorhabditis elegans, so affording protection from bacterial infection.


name: 5-hydroxy-2-methyl-3-benzo[g]benzofurancarboxylic acid ethyl ester


name: 4-Amino-2-phenethylsulfanyl-pyrimidine-5-carboxylic acid ethyl ester


name: 4-(diethylsulfamoyl)benzoic acid [2-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-2-oxoethyl] ester


name: PSIP1_HUMAN PC4 and SFRS1-interacting protein (sprot)

description: A PC4 and SFRS1-interacting protein that is encoded in the genome of human.


levodopa

An optically active form of dopa having L-configuration. Used to treat the stiffness, tremors, spasms, and poor muscle control of Parkinson's disease


A tetrahydroxyflavone having the 4-hydroxy groups located at the 3'- 4'- 5- and 7-positions as well as a methoxy group at the 2-position.


OXIDOPAMINE

A benzenetriol that is phenethylamine in which the hydrogens at positions 2, 4, and 5 on the phenyl ring are replaced by hydroxy groups. It occurs naturally in human urine, but is also produced as a metabolite of the drug DOPA (used for the treatment of Parkinson's disease).


name: 1-Methyl-2-(2-phenylethyl)hydrazine dihydrochloride salt (9a)


name: 1-Methyl-2-(3-phenylpropyl)hydrazine dihydrochloride salt (9d)


name: (4-Phenylbutyl)hydrazine dihydrochloride salt (9h)


name: N-[4-(2-Hydrazinylethyl)phenyl]benzamide dihydrochloride salt (12a)


name: N-[4-(2-Hydrazinylethyl)phenyl]-2-phenylacetamide dihydrochloride salt (12b)


name: N-[4-(2-Hydrazinylethyl)phenyl]-3-phenylpropanamide sulfate salt (12c)


name: N-[4-(2-Hydrazinylethyl)phenyl]-5-phenylpentanamide oxalate salt (12e)


name: 4-(4-Chlorophenyl)-N-[4-(2-hydrazinylethyl)phenyl]butanamide sulfate salt (12f)


name: 4-(4-Fluorophenyl)-N-[4-(2-hydrazinylethyl)phenyl]butanamide sulfate salt (12g)


name: N-[4-(2-Hydrazinylethyl)phenyl]-4-(4-methoxyphenyl)butanamide sulfate salt (12h)


name: N-[4-(2-Hydrazinylethyl)phenyl]-4-(4-nitrophenyl)butanamide sulfate salt (12i)


name: 2-(3-{[4-(2-Hydrazinylethyl)phenyl]amino}-3-oxopropyl)phenyl methanesulfonate oxalate salt (12j)


name: 3-(3-{[4-(2-Hydrazinylethyl)phenyl]amino}-3-oxopropyl)phenyl methanesulfonate oxalate salt (12k)


name: (2E)-N-[4-(2-Hydrazinylethyl)phenyl]-3-phenylprop-2-enamide sulfate salt (13)


name: {3-[4-(Benxyloxy)phenyl]propyl}hydrazine dihydrochloride salt (14)


name: N-[4-(2-Hydrazinylethyl)phenyl]-3-(1H-indol-3-yl)propanamide sulfate salt (15a)


name: N-[4-(2-Hydrazinylethyl)phenyl]-4-(1H-indol-3-yl)butanamide sulfate salt (15b)


name: N-[4-(2-Hydrazinylethyl)phenyl]-N-methyl-4-phenylbutanamide oxalate salt (12l)


name: N-Benzyl-N-[4-(2-hydrazinylethyl)phenyl]-4-phenylbutanamide oxalate salt (12m)


name: 4-(3-Hydroxy-phenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester


azobenzene

A molecule whose structure comprises two phenyl rings linked by a N=N double bond; the parent compound of the azobenzene class of compounds.


UT2_RAT Urea transporter 2 (sprot)

A urea transporter 2 that is encoded in the genome of rat.


UT1_RAT Urea transporter 1 (sprot)

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


name: KS6B1_HUMAN Ribosomal protein S6 kinase beta-1 (sprot)

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


name: 2-{3-[(8-Carbamoyl-quinazolin-4-ylamino)-methyl]-phenylamino}-oxazole-4-carboxylic acid ethyl ester


name: PGDH_HUMAN 15-hydroxyprostaglandin dehydrogenase [NAD(+)] (sprot)

description: A 15-hydroxyprostaglandin dehydrogenase [NAD(+)] that is encoded in the genome of human.


name: ALDH2_HUMAN Aldehyde dehydrogenase, mitochondrial (sprot)

description: An aldehyde dehydrogenase, mitochondrial that is encoded in the genome of human.


leniolisib

A pyridopyrimidine that is 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine substituted by [(3S)-1-propanoylpyrrolidin-3-yl]amino and 6-methoxy-5-(trifluoromethyl)pyridin-3-yl groups at positions 4 and 6, respectively.


name: 5-Cyano-furan-2-carboxylic acid [4-[3-(ethyl-methyl-amino) propyl]-2-(4-methyl-piperidin-1-yl)-phenyl]-amide


fosfomycin

A phosphonic acid having an (R,S)-1,2-epoxypropyl group attached to phosphorus.


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

description: A UDP-N-acetylglucosamine 1-carboxyvinyltransferase that is encoded in the genome of Escherichia coli K-12.


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

description: A UDP-N-acetylglucosamine 1-carboxyvinyltransferase that is encoded in the genome of Enterobacter cloacae subsp. cloacae ATCC 13047.


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


name: MURA2_STAAM UDP-N-acetylglucosamine 1-carboxyvinyltransferase 2 (sprot)


name: MURA_HAEI8 UDP-N-acetylglucosamine 1-carboxyvinyltransferase (sprot)


name: MURB_ECOLI UDP-N-acetylenolpyruvoylglucosamine reductase (sprot)

description: A UDP-N-acetylenolpyruvoylglucosamine reductase that is encoded in the genome of Escherichia coli K-12.


name: MURB_STAAU UDP-N-acetylenolpyruvoylglucosamine reductase (sprot)

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


name: MURC_PROMH UDP-N-acetylmuramate--L-alanine ligase (sprot)


name: MURC_KLEP7 UDP-N-acetylmuramate--L-alanine ligase (sprot)


name: MURE_ECOLI UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase (sprot)

description: A UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase that is encoded in the genome of Escherichia coli K-12.


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

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


name: MURE_MYCTU UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase (sprot)


name: MURC_STAAU UDP-N-acetylmuramate--L-alanine ligase (sprot)


name: Carbonic acid (1R,2S,3S,4R,5S)-5-[4-chloro-3-(4-ethoxy-benzyl)-phenyl]-2,3,4-trihydoxy-6,8-dioxa-bicyclo[3.2.1]oct-1-ylmethyl ester ethyl ester


P2Y12_HUMAN P2Y purinoceptor 12 (sprot)

A P2Y purinoceptor 12 that is encoded in the genome of human.


name: PE2R1_RAT Prostaglandin E2 receptor EP1 subtype (sprot)

description: A prostaglandin E2 receptor EP1 subtype that is encoded in the genome of rat.


name: B2CL1_MOUSE Bcl-2-like protein 1 (sprot)

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


TILORONE

A member of the class of fluoren-9-ones that is 9H-fluoren-9-one which is substituted by a 2-(diethylamino)ethoxy group at positions 2 and 7. It is an interferon inducer and a selective alpha7 nicotinic acetylcholine receptor (alpha7 nAChR) agonist. Its hydrochloride salt is used as an antiviral drug.


phytanic acid

A branched-chain saturated fatty acid consisting of hexadecanoic acid carrying methyl substituents at positions 3, 7, 11 and 15.


name: FABPL_HUMAN Fatty acid-binding protein, liver (sprot)

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


fenofibrate

A chlorobenzophenone that is (4-chlorophenyl)(phenyl)methanone substituted by a [2-methyl-1-oxo-1-(propan-2-yloxy)propan-2-yl]oxy group at position 1 on the phenyl ring.


name: FABPL_RAT Fatty acid-binding protein, liver (sprot)

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


name: TYRA_MYCTU Prephenate dehydrogenase (sprot)


AFLATOXIN

An aflatoxin having a tetrahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromene skeleton with oxygen functionality at positions 1, 4 and 11.


ambenonium

A symmetrical oxalamide-based bis-quaternary ammonium ion having ethyl and 2-chlorobenzyl groups attached to the nitrogens.


coumarin

A chromenone having the keto group located at the 2-position.


CBPB1_HUMAN Carboxypeptidase B (sprot)

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


name: Trans-{4-[2-(4-Benzo[1,3]dioxol-4-yl-piperazin-1-yl)-ethyl]-cyclohexyl}-carbamic acid methyl ester


name: HASP_HUMAN Serine/threonine-protein kinase haspin (sprot)

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


name: MINK1_HUMAN Misshapen-like kinase 1 (sprot)

description: A misshapen-like kinase 1 that is encoded in the genome of human.


name: (S)-4-((S)-2-hydroxy-propyl)-2,2-dimethyl-oxazolidine-3-carboxylic acid t-butyl ester


name: EGLN1_RAT Egl nine homolog 1 (Fragment) (sprot)


name: CCR3_HUMAN C-C chemokine receptor type 3 (sprot)

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


name: MURC_PSEAE UDP-N-acetylmuramate--L-alanine ligase (sprot)


A member of the class of pyrazoles that is N-[4-(pyrazol-1-yl)phenyl]glycinamide in which the pyrazole ring is substituted at positions 3 and 5 by trifluoromethyl and phenanthrene-2-yl groups respectively.


name: GPR4_HUMAN G-protein coupled receptor 4 (sprot)

description: A G-protein coupled receptor 4 that is encoded in the genome of human.


name: PEBB_HUMAN Core-binding factor subunit beta (sprot)

description: A core-binding factor subunit beta that is encoded in the genome of human.


A triazolopyrazine that is a rigid cyclohexylamine analogue of sitagliptin.


name: PGH2_SHEEP Prostaglandin G/H synthase 2 (sprot)

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


name: 4-{[(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)methyl]amino} benzene sulfonamide (5f)


name: PSB5_HUMAN Proteasome subunit beta type-5 (sprot)

description: A proteasome subunit beta type-5 that is encoded in the genome of human.


carfilzomib

A synthetic tetrapeptide consisting of morpholin-4-acetyl, L-2-amino-4-phenylbutanoyl, L-leucyl and L-phenylalanyl residues joined in sequence with the C-terminus connected to the amino group of (2S)-2-amino-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-1-one via an amide linkage. Used for the treatment of patients with multiple myeloma


bortezomib

L-Phenylalaninamide substituted at the amide nitrogen by a 1-(dihydroxyboranyl)-3-methylbutyl group and at N(alpha) by a pyrazin-2-ylcarbonyl group. It is a dipeptidyl boronic acid that reversibly inhibits the 26S proteasome.


name: EF2K_HUMAN Eukaryotic elongation factor 2 kinase (sprot)

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


name: ILK_HUMAN Integrin-linked protein kinase (sprot)

description: An integrin-linked protein kinase that is encoded in the genome of human.


name: US8754233, 2-(1H-Pyrazol-4-yl)-benzothiazole-6-sulfonic acid amide


name: US8754233, 2-(3-Amino-1H-pyrazol-4-yl)-5-fluoro-benzothiazole-6-sulfonic acid amide


name: US8754233, 2-(3-Amino-5-methyl-1H-pyrazol-4-yl)-4,5,6-trifluoro-benzothiazole-7-sulfonic acid amide


name: US8754233, 2-(3-Amino-5-methyl-1H-pyrazol-4-yl)-5-fluoro-benzothiazole-6-carboxylic acid methyl ester


name: 2-(3-Amino-5-methyl-1H-pyrazol-4-YL)-benzothiazole-6-carboxylic acid methyl ester


name: US8754233, 2-(3-Amino-5-methyl-1H-pyrazol-4-yl)-benzothiazole-6-sulfonic acid methyl amide


name: US8754233, 2-(3-Amino-5-methyl-1H-pyrazol-4-yl)-benzothiazole-6-sulfonic acid (2,6-dimethyl-pyrimidin-4-yl)-amide


name: US8754233, 2-(3-Amino-5-methyl-1H-pyrazol-4-yl)-benzothiazole-7-carboxylic acid methyl ester


name: US8754233, 2-(5-Amino-1H-pyrazol-4-yl)-benzothiazole-6-sulfonic acid methylamide


name: US8754233, 2-(5-Amino-3-methyl-1H-pyrazol-4-yl)-benzothiazole-6-carboxylic acid amide


name: US8754233, 2-(5-Amino-3-methyl-1H-pyrazol-4-yl)-benzothiazole-6-sulfonic acid amide


name: 2-(5-Amino-3-methyl-1H-pyrazol-4-yl)-benzothiazole-6-sulfonic acid (phenylhydrazino) amide


tubastatin A

A pyridoindole that is 1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indole which is substituted on the tetrahydropyridine nitrogen by a methyl group and on the indole nitrogen by a p-[N-(hydroxy)aminocarbonyl]benzyl group. It is a histone deacetylase 6 (HDAC6) inhibitor that is selective against all the other isozymes (1000-fold) except HDAC8 (57-fold).


name: Methyl 2,3,4-tri-O-benzyl-6-O-[1-(4-(2-methoxy-2-oxoacetyl)phenyl)-1H-1,2,3-triazol-4-yl methyl] a-D-glucopyranoside (13)


name: Methyl 2,3,4-tri-O-benzyl-6-O-[1-(4-(carboxycarbonyl)phenyl)-1H-1,2,3-triazol-4-ylmethyl] a-D-glucopyranoside (15)


name: 1-(4-Carboxyphenyl)-1H-1,2,3-triazol-4-ylmethyl 2,3,4,6-tetra-O-benzyl a-D-glucopyranoside (18)


name: 1-(4-(Carboxycarbonyl)phenyl)-1H-1,2,3-triazol-4-ylmethyl 2,3,4,6-tetra-O-benzyl a-D-glucopyranoside (19)


A vanadium oxoanion that is a trianion with formula VO4 in which the vanadium is in the +5 oxidation state and is attached to four oxygen atoms.


name: PTN4_HUMAN Tyrosine-protein phosphatase non-receptor type 4 (sprot)

description: A tyrosine-protein phosphatase non-receptor type 4 that is encoded in the genome of human.


name: KDM5A_MOUSE Lysine-specific demethylase 5A (sprot)

description: A lysine-specific demethylase 5A that is encoded in the genome of mouse.


name: HIPK1_HUMAN Homeodomain-interacting protein kinase 1 (sprot)

description: A homeodomain-interacting protein kinase 1 that is encoded in the genome of human.


name: PGFRB_RAT Platelet-derived growth factor receptor beta (sprot)

description: A beta-type platelet-derived growth factor receptor that is encoded in the genome of rat.


name: QPCTL_HUMAN Glutaminyl-peptide cyclotransferase-like protein (sprot)

description: A glutaminyl-peptide cyclotransferase-like protein that is encoded in the genome of human.


name: 2-Methyl-4-(pyrrolidine-1-carbonyl)-2H-pyrazole-3-carboxylic acid [2-(1-methyl-1H-benzo imidazol-2-yl)-ethyl]-amide


name: ADA33_HUMAN Disintegrin and metalloproteinase domain-containing protein 33 (sprot)

description: A disintegrin and metalloproteinase domain-containing protein 33 that is encoded in the genome of human.


An  organochlorine compound that is 7H-purin-2-amine substituted by a chloro group at position 6.


NVP-2 is a potent and selective ATP-competitive cyclin dependent kinase 9 (CDK9) probe. NVP-2 induces cell apoptosis.


MMP13_MOUSE Collagenase 3 (sprot)

A collagenase 3 that is encoded in the genome of mouse.


name: 5-{5-Methyl-2-[(pyridin-4-ylmethyl)-carbamoyl]-3H-imidazol-4-yl}-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid ethyl ester


name: RLGM1_TRYBB RNA-editing ligase 1, mitochondrial (sprot)


TTHY_HUMAN Transthyretin (sprot)

A transthyretin that is encoded in the genome of human.


IL2_HUMAN Interleukin-2 (sprot)

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


name: 3-[5-(2,6-Difluoro-phenylcarbamoyl)-thiophen-2-yl]-4-methyl-benzoic acid methyl ester


name: 4-Methyl-3-[5-(3-methyl-pyridin-4-ylcarbamoyl)-thiophen-2-yl]-benzoic acid methyl ester


name: 3-[5-(2,6-Difluoro-benzoylamino)-thiophen-2-yl]4-methyl-benzoic acid methyl ester


name: AOC3_RAT Amine oxidase [copper-containing] 3 (sprot)

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


name: Carbonic acid, monoamide, N-methyl-, decyl ester


DICYCLOHEXYLCARBODIIMIDE

A carbodiimide compound having a cyclohexyl substituent on both nitrogen atoms.


A member of the class of phenylureas that is urea in which a hydrogen attached to one nitrogen is replaced by a cyclohexyl group and a hydrogen attached to the other nitrogen is replaced by a p-iodophenyl group.


name: US8815951, Epoxide Hydrolase Inhibitor 2


name: US8815951, Epoxide Hydrolase Inhibitor 3


name: US8815951, Epoxide Hydrolase Inhibitor 4


name: US8815951, Epoxide Hydrolase Inhibitor 5


name: US8815951, Epoxide Hydrolase Inhibitor 7


name: US8815951, Epoxide Hydrolase Inhibitor 9


name: US8815951, Epoxide Hydrolase Inhibitor 10


name: US8815951, Epoxide Hydrolase Inhibitor 11


name: US8815951, Epoxide Hydrolase Inhibitor 12


name: US8815951, Epoxide Hydrolase Inhibitor 14


name: US8815951, Epoxide Hydrolase Inhibitor 15


name: US8815951, Epoxide Hydrolase Inhibitor 16


name: US8815951, Epoxide Hydrolase Inhibitor 17


name: TAA7B_RAT Trace amine-associated receptor 7b (sprot)

description: A trace amine-associated receptor 7 that is a translation product of the Taar7b gene in rat.


name: 4-[2-(6-Amino-5-trifluoromethyl-pyridin-3-yl)-imidazo[2,1-b][1,3,4]thiadiazol-5-yl]-2-methoxy-benzoic acid methyl ester


name: SCAF_HCMVA Capsid scaffolding protein (sprot)


name: 6({[(2R,4S)4{[(6amino4methylpyridin2 yl)oxy]methyl}pyrrolidin2yl]methoxy}methyl)4 methylpyridin2amine ((2R,4S)-6)


name: CCR2_HUMAN C-C chemokine receptor type 2 (sprot)

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


KHK_HUMAN Ketohexokinase (sprot)

A ketohexokinase that is encoded in the genome of human.


name: 2-[5-(2-amino-pyrimidin-5-yl)-1-tert-butyl-1H-benzimidazol-2-yl]-benzoic acid methyl ester


name: Staurosporine, from Streptomyces species


suramin

A member of the class of phenylureas that is urea in which each of the amino groups has been substituted by a 3-({2-methyl-5-[(4,6,8-trisulfo-1-naphthyl)carbamoyl]phenyl}carbamoyl)phenyl group. An activator of both the rabbit skeletal muscle RyR1 and sheep cardiac RyR2 isoform ryanodine receptor channels, it has been used for the treatment of human African trypanosomiasis for over 100 years.


name: {1-[4-(4-Ethoxy-phenylethynyl)-phenyl]ethyl}-carbamic acid methyl ester


name: CRFR2_HUMAN Corticotropin-releasing factor receptor 2 (sprot)

description: A corticotropin-releasing factor receptor 2 that is encoded in the genome of human.


name: CP17A_RAT Steroid 17-alpha-hydroxylase/17,20 lyase (sprot)

description: A cytochrome P450 17A1 that is encoded in the genome of rat.


name: 6-(5-Methyl-3-phenyl-isoxazol-4-ylmethoxy)-nicotinic acid methyl ester


name: 5-Bromo-6-(5-methyl-3-phenyl-isoxazol-4-ylmethoxy)-nicotinic acid methyl ester


name: 2-Methyl-6-(5-methyl-3-phenyl-isoxazol-4-ylmethoxy)-nicotinic acid ethyl ester


name: 6-[3-(4-Fluoro-phenyl)-5-trifluoromethyl-isoxazol-4-ylmethoxy]-nicotinic acid methyl ester


name: 3-{[6-(5-Methyl-3-phenyl-isoxazol-4-ylmethoxy)-pyridine-3-carbonyl]-amino}-azetidine-1-carboxylic acid tert-butyl ester


name: (2-{[6-(5-Methyl-3-phenyl-isoxazol-4-ylmethoxy)-pyridine-3-carbonyl]-amino}-ethyl)-carbamic acid tert-butyl ester


name: (S)-2-{[6-(5-Methyl-3-phenyl-isoxazol-4-ylmethoxy)-pyridine-3-carbonyl]-amino}-3-phenyl-propionic acid methyl ester


name: 6-[3-(5-Chloro-pyridin-2-yl)-5-methyl-isoxazol-4-ylmethoxy]-nicotinic acid methyl ester


name: 6-(5-Methyl-3-pyrimidin-4-yl-isoxazol-4-ylmethoxy)-nicotinic acid methyl ester


name: {[6-(5-Methyl-3-phenyl-isoxazol-4-ylmethoxy)-pyridine-3-carbonyl]-amino}-acetic acid tert-butyl ester


name: 2-{[6-(5-Methyl-3-phenyl-isoxazol-4-ylmethoxy)-pyridine-3-carbonyl]-amino}-propionic acid ethyl ester


name: 6-(5-Methyl-3-phenyl-isoxazol-4-ylmethoxy)-nicotinic acid isopropyl ester


name: 6-[3-(3-Fluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-nicotinic acid methyl ester


name: 6-(5-Methyl-3-pyridin-3-yl-isoxazol-4-ylmethoxy)-nicotinic acid methyl ester


name: 6-{[3-(3-Fluoro-phenyl)-5-methyl-isoxazol-4-ylmethyl]-amino}-nicotinic acid methyl ester


name: 6-{[3-(4-Fluoro-phenyl)-5-methyl-isoxazol-4-ylmethyl]-amino}-nicotinic acid methyl ester


name: 3-[{6-(5-Methyl-3-phenyl-isoxazol-4-ylmethoxy)-pyridine-3-carbonyl]-amino}-piperidine-1-carboxylic acid tert-butyl ester


name: 6-[3-(3-Chloro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-nicotinic acid methyl ester


name: 6-[3-(4-Fluoro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-nicotinic acid methyl ester


name: n-[6-(5-Methyl-3-phenyl-isoxazol-4-ylmethoxy)-pyridin-3-yl]-oxalamic acid methyl ester


name: 6-(5-Methyl-3-pyridin-2-yl-isoxazol-4-ylmethoxy)-nicotinic acid methyl ester


name: (3-{[6-(5-Methyl-3-phenyl-isoxazol-4-ylmethoxy)-pyridine-3-carbonyl]-amino}-piperidin-1-yl)-acetic acid ethyl ester


name: 6-[3-(4-Chloro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-nicotinic acid methyl ester


name: 6-(3-Phenyl-5-trifluoromethyl-isoxazol-4-ylmethoxy)-nicotinic acid methyl ester


name: 6-[3-(5-Fluoro-pyridin-2-yl)-5-methyl-isoxazol-4-ylmethoxy]-nicotinic acid methyl ester


name: UPP1_HUMAN Uridine phosphorylase 1 (sprot)

description: A uridine phosphorylase 1 that is encoded in the genome of human.


name: PAR1_HUMAN Proteinase-activated receptor 1 (sprot)

description: A proteinase-activated receptor 1 that is encoded in the genome of human.


name: PDK2_HUMAN [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (sprot)

description: A [pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial that is encoded in the genome of human.


name: 4-chloro-9-hydroxy-9-trifluoromethyl-9H-fluorene-2-carboxylic acid methyl ester


name: (4-Chloro-9-hydroxy-9-trifluoromethyl-9h-fluoren-2-yloxy)-acetic acid methyl ester


name: CATC_HUMAN Dipeptidyl peptidase 1 (sprot)

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


name: PARP1_MOUSE Poly [ADP-ribose] polymerase 1 (sprot)

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


name: PARP3_MOUSE Protein mono-ADP-ribosyltransferase PARP3 (sprot)

description: A protein mono-ADP-ribosyltransferase PARP3 that is encoded in the genome of mouse.


KPYM_HUMAN Pyruvate kinase PKM (sprot)

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


name: (S)-2-[(S)-2-(3'-chloro-biphenyl-4-yl)-1-(1H-tetrazol-5-ylcarbamoyl)-ethylamino]-propionic acid ethyl ester


NEP_HUMAN Neprilysin (sprot)

A neprilysin that is encoded in the genome of human.


name: (S)-2-[(S)-2-(2',5'-dichloro-biphenyl-4-yl)-1-(1H-tetrazol-5-ylcarbamoyl)-ethylamino]-propionic acid tert-butyl ester


crizotinib

A  3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine that has R configuration at the chiral centre. The active enantiomer, it acts as a kinase inhibitor and is used for the treatment of patients with locally advanced or metastatic non-small cell lung cancer (NSCLC)


desloratadine

Loratadine in which the ethoxycarbonyl group attached to the piperidine ring is replaced by hydrogen. The major metabolite of loratidine, desloratadine is an  antihistamine which is used for the symptomatic relief of allergic conditions including rhinitis and chronic urticaria. It does not readily enter the central nervous system, so does not cause drowsiness.


pimavanserin

A member of the class of ureas in which three of the four hydrogens are replaced by 4-fluorobenzyl, 1-methylpiperidin-4-yl, and 4-(isopropyloxy)benzyl groups. An atypical antipsychotic that is used (in the form of its tartrate salt) for treatment of hallucinations and delusions associated with Parkinson's disease.


name: phosphoric acid (2R,3S,4R,5R,6S)-6-[3-(2,3-dihydro-benzo[1,4]dioxin-6-ylmethyl)-4-ethyl-phenyl]-3,4,5-trihydroxy-tetrahydro-pyran-2-ylmethyl ester diethyl ester


name: 2-Amino-4-(4-acetaminophenyl)-thiophene-3-carboxylic acid ethyl ester


probenecid

A sulfonamide in which the nitrogen of 4-sulfamoylbenzoic acid is substituted with two propyl groups.


name: WNK2_HUMAN Serine/threonine-protein kinase WNK2 (sprot)

description: A serine/threonine-protein kinase WNK2 that is encoded in the genome of human.


CP2B6_HUMAN Cytochrome P450 2B6 (sprot)

A cytochrome P450 2B6 that is encoded in the genome of human.


name: RORG_HUMAN Nuclear receptor ROR-gamma (sprot)

description: A nuclear receptor ROR-gamma that is encoded in the genome of human.


name: BKRB1_HUMAN B1 bradykinin receptor (sprot)

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


name: EFC4B_HUMAN EF-hand calcium-binding domain-containing protein 4B (sprot)

description: An EF-hand calcium-binding domain-containing protein 4B that is encoded in the genome of human.


name: LIPS_RAT Hormone-sensitive lipase (sprot)

description: A hormone-sensitive lipase that is encoded in the genome of rat.


LIPG_RAT Endothelial lipase (sprot)

An endothelial lipase that is encoded in the genome of rat.


name: {2-[(7-Benzyl-4-hydroxy-8-oxo-7,8-dihydro-[2,7]naphthyridine-3-carbonyl)-amino]-ethyl}-methyl-carbamic acid methyl ester


ITA5_HUMAN Integrin alpha-5 (sprot)

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


ITA2B_HUMAN Integrin alpha-IIb (sprot)

An integrin alpha-IIb that is encoded in the genome of human.


An N-acylpyrrolidine obtained by formal condenstion of the carboxy group of L-proline and the secondary amino group of (R)-pyrrolidine-2-carboxylic acid.


name: SIA4B_RAT CMP-N-acetylneuraminate-beta-galactosamide-alpha-2,3-sialyltransferase 2 (sprot)

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


name: TAU_BOVIN Microtubule-associated protein tau (sprot)


name: PADI6_HUMAN Protein-arginine deiminase type-6 (sprot)

description: A protein-arginine deiminase type-6 that is encoded in the genome of human.


gilteritinib

A member of the class of pyrazines that is pyrazine-2-carboxamide which is substituted by {3-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl}nitrilo, (oxan-4-yl)nitrilo and ethyl groups at positions 3,5 and 6, respectively. It is a potent inhibitor of FLT3 and AXL tyrosine kinase receptors (IC50 = 0.29 nM and 0.73 nM, respectively). Approved by the FDA for the treatment of acute myeloid leukemia in patients who have a FLT3 gene mutation.


name: SO2A1_RAT Solute carrier organic anion transporter family member 2A1 (sprot)

description: A solute carrier organic anion transporter family member 2A1 that is encoded in the genome of rat.


name: SCN5A_HUMAN Sodium channel protein type 5 subunit alpha (sprot)

description: A sodium channel protein type 5 subunit alpha that is encoded in the genome of human.


name: A0A087WW23_HUMAN Arachidonate 5-lipoxygenase-activating protein (trembl)


name: OGT1_HUMAN UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit (sprot)

description: A UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit that is encoded in the genome of human.


name: TOPK_HUMAN Lymphokine-activated killer T-cell-originated protein kinase (sprot)

description: A lymphokine-activated killer T-cell-originated protein kinase that is encoded in the genome of human.


sterculic acid

A long-chain, monounsaturated fatty acid composed of 9-octadecenoic acid having a 9,10-cyclopropenyl group.


name: SCD_HUMAN Stearoyl-CoA desaturase (sprot)

description: A stearoyl-CoA desaturase that is encoded in the genome of human.


name: 2-[4-(1-Amino-cyclobutyl)-phenyl]-3-phenyl-imidazo[1,2-a]pyridine-8-carboxylic acid methyl ester


name: {2-[4-(1-Amino-cyclobutyl)-phenyl]-3-phenyl-imidazo[1,2-a]pyridin-7-yloxy}-acetic acid methyl ester


name: S1PR2_RAT Sphingosine 1-phosphate receptor 2 (sprot)

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


name: BRD4_HUMAN Bromodomain-containing protein 4 (sprot)

description: A bromodomain-containing protein 4 that is encoded in the genome of human.


name: BRD2_HUMAN Bromodomain-containing protein 2 (sprot)

description: A bromodomain-containing protein 2 that is encoded in the genome of human.


name: BRD3_HUMAN Bromodomain-containing protein 3 (sprot)

description: A bromodomain-containing protein 3 that is encoded in the genome of human.


CBP_HUMAN CREB-binding protein (sprot)

A CREB-binding protein that is encoded in the genome of human.


empagliflozin

A C-glycosyl compound consisting of a beta-glucosyl residue having a (4-chloro-3-{4-[(3S)-tetrahydrofuran-3-yloxy]benzyl}phenyl group at the anomeric centre. A sodium-glucose co-transporter 2 inhibitor used as an adjunct to diet and exercise to improve glycemic control in adults with type 2 diabetes mellitus.


flavone

The simplest member of the class of flavones that consists of 4H-chromen-4-one bearing a phenyl substituent at position 2.


The parent member of the class of 3'-methoxyflavones that is flavone which carries a methoxy group at the 3'-position.


name: HYEP_MANSE Juvenile hormone epoxide hydrolase (sprot)


name: THIT_LACLM Thiamine transporter ThiT (sprot)


name: PGDA_STRR6 Peptidoglycan-N-acetylglucosamine deacetylase (sprot)


name: (E)-3-{6-[4-(1-amino-cyclobutyl)-phenyl]-2-methyl-7-phenyl-imidazo[1,2-b]pyridazin-3-yl}-acrylic acid methyl ester


name: LIPC_HUMAN Hepatic triacylglycerol lipase (sprot)

description: A hepatic triacylglycerol lipase that is encoded in the genome of human.


ketoconazole

A racemate consisting of equimolar amounts of (2R,4S)- and (2S,4R)-ketoconazole.


name: TRPM8_HUMAN Transient receptor potential cation channel subfamily M member 8 (sprot)

description: A transient receptor potential cation channel TRPM8 that is encoded in the genome of human.


name: PTPRJ_HUMAN Receptor-type tyrosine-protein phosphatase eta (sprot)

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


MEN1_HUMAN Menin (sprot)

A menin that is encoded in the genome of human.


name: 2-Pyrimidineacetic acid, 1,6-dihydro-4-(4-morpholinyl)-6-oxo-, ethyl ester


fosmidomycin

Propylphosphonic acid in which one of the hydrogens at position 3 is substituted by a formyl(hydroxy)amino group. An antibiotic obtained from Streptomyces lavendulae, it specifically inhibits DXP reductoisomerase (EC 1.1.1.267), a key enzyme in the non-mevalonate pathway of isoprenoid biosynthesis.


name: TYPH_ECO57 Thymidine phosphorylase (sprot)


name: 5'-(N-succinyl)-5'-amino-5'-deoxyuridine methyl ester (7)


CHS3_YEAST Chitin synthase 3 (sprot)

A protein that is a translation product of the CHS3 gene in yeast.


clavulanic acid

Antibiotic isolated from Streptomyces clavuligerus. It acts as a suicide inhibitor of bacterial beta-lactamase enzymes.


tazobactam

A member of the class of penicillanic acids that is sulbactam in which one of the exocyclic methyl hydrogens is replaced by a 1,2,3-triazol-1-yl group; used (in the form of its sodium salt) in combination with ceftolozane sulfate for treatment of complicated intra-abdominal infections and complicated urinary tract infections.


The anion of 3-fluoropyruvic acid.


name: NOSO_BACSU Nitric oxide synthase oxygenase (sprot)


name: APAH_MYCRA Acetylpolyamine amidohydrolase (sprot)


name: HS904_HUMAN Putative heat shock protein HSP 90-alpha A4 (sprot)


TANESPIMYCIN

A 19-membered macrocyle that is geldanamycin in which the methoxy substituent attached to the benzoquinone moiety has been replaced by an allylamino group. It is a potent inhibitor of heat shock protein 90 (Hsp90). A less toxic analogue than geldanamycin, it induces apoptosis and displays antitumour effects.


geldanamycin

An ansamycin consisting of a 19-membered macrocyle incorporating a benzoquinone ring and a lactam functionality. It shows antimicrobial activity against many Gram-positive and some Gram-negative bacteria.


name: MOGT2_HUMAN 2-acylglycerol O-acyltransferase 2 (sprot)

description: A 2-acylglycerol O-acyltransferase 2 that is encoded in the genome of human.


name: TYRP1_MOUSE 5,6-dihydroxyindole-2-carboxylic acid oxidase (sprot)

description: A 5,6-dihydroxyindole-2-carboxylic acid oxidase that is encoded in the genome of mouse.


name: 4-(3-Amino-4-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester


name: 4-(2-Naphthalenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester


name: 4-(2-Fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester


name: 4-(3-Fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester


name: 4-[1,1-Biphenyl]-4-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester


name: 4-[4-(Dimethylamino)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester


name: 4-Benzo[b]thien-2-yl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester


name: 4-[4-(1H-pyrazol-1-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester


SINENSETIN

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


gossypin

A glycosyloxyflavone that is  gossypetin attached to a beta-D-glucopyranosyl residue at position 8 via a glycosidic linkage.


SPIRAEOSIDE

A quercetin O-glucoside that is quercetin with a beta-D-glucosyl residue attached at position 4'.


diosmin

A disaccharide derivative that consists of  diosmetin substituted by a 6-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage.


baicalin

The glycosyloxyflavone which is the 7-O-glucuronide of baicalein. It is an active ingredient of Chinese herbal medicine Scutellaria baicalensis.


APIIN

A beta-D-glucoside having a beta-D-apiosyl residue at the 2-position and a 5,4'-dihydroxyflavon-7-yl moiety at the anomeric position.


FLAVONOL

A monohydroxyflavone that is the 3-hydroxy derivative of flavone.


galangin

A 7-hydroxyflavonol with additional hydroxy groups at positions 3 and 5 respectively; a growth inhibitor of breast tumor cells.


datiscetin

A tetrahydroxyflavone that is 7-hydroxyflavonol bearing two additional hydroxy substituents at positions 2' and 5.


TAMARIXETIN

A monomethoxyflavone that is quercetin methylated at position O-4'. Isolated from Cyperus teneriffae.


name: PA2G5_HUMAN Phospholipase A2 group V (sprot)

description: A phospholipase A2 group V that is encoded in the genome of human.


name: 3-Benzofuran-2-yl-5-(4-dimethylamino-naphthalen-1-yl)-4,5-dihydro-pyrazole-1-carbothioic acid amide (1a)


name: 3-Benzofuran-2-yl-5-(4,7-dimethoxy-naphthalen-1-yl)-4,5-dihydro-pyrazole-1-carbothioic acid amide (2a)


name: 3-Benzofuran-2-yl-5-(2,3-dimethoxy-naphthalen-1-yl)-4,5-dihydro-pyrazole-1-carbothioic acid amide (3a)


8-anilinonaphthalene-1-sulfonic acid

A naphthalenesulfonic acid that is naphthalene-1-sulfonic acid substituted by a phenylamino group at position 8.


name: FABPI_HUMAN Fatty acid-binding protein, intestinal (sprot)

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


oleate

A C18, long straight-chain monounsaturated fatty acid anion; and the conjugate base of oleic acid, arising from deprotonation of the carboxylic acid group.


diclofenac

A monocarboxylic acid consisting of phenylacetic acid having a (2,6-dichlorophenyl)amino group at the 2-position.


name: DPDS_MYCTO Decaprenyl diphosphate synthase (sprot)


name: Benzenebutanesulfonic acid, 3-phenoxy-alpha-phosphono-, (alphaS)-


name: TUBAT_MYCTO Tuberculosinyl adenosine transferase (sprot)


name: ZFPP_MYCBO Short-chain Z-isoprenyl diphosphate synthase (sprot)


name: 2-(1-Methyl-4,5-dibromo-1H-pyrrole-2-carbonyl)-N-(3,4,5-trimethoxyphenyl) hydrazine carbothioamide (5t)


An organic heterotricyclic compound that is [1,2,4]triazolo[3,4-f][1,6]naphthyridin-3(2H)-one substituted at positions 8 and 9 respectively by 4-(1-aminocyclobutyl)phenyl and phenyl groups.


An indolocarbazole compound having methoxy groups at positions 3 and 9 and an additional fused pyrrolidine-2,5-dione ring. It is an inhibitor of BRSK2 kinase, PDGF-dependent receptor autophosphorylation and cell proliferation.


name: PA1B2_MOUSE Platelet-activating factor acetylhydrolase IB subunit alpha2 (sprot)

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


name: TP53B_HUMAN TP53-binding protein 1 (sprot)

description: A TP53-binding protein 1 that is encoded in the genome of human.


PHF1_HUMAN PHD finger protein 1 (sprot)

A PHD finger protein 1 that is encoded in the genome of human.


name: PHF19_HUMAN PHD finger protein 19 (sprot)

description: A PHD finger protein 19 that is encoded in the genome of human.


name: MBTD1_HUMAN MBT domain-containing protein 1 (sprot)

description: An MBT domain-containing protein 1 that is encoded in the genome of human.


phenylpyruvic acid oxime

A ketoxime obtained by condensation of the keto group of phenylpyruvic acid with hydroxylamine.


name: CTBP2_HUMAN C-terminal-binding protein 2 (sprot)

description: A C-terminal-binding protein 2 that is encoded in the genome of human.


4-methylthio-2-oxobutanoic acid

A 2-oxo monocarboxylic acid derived from L-methionine via the action of methionine transaminase.


name: CTBP1_HUMAN C-terminal-binding protein 1 (sprot)

description: A C-terminal-binding protein 1 that is encoded in the genome of human.


name: PSA2_YEAST Proteasome subunit alpha type-2 (sprot)

description: A proteasome subunit alpha type-2 that is encoded in the genome of yeast.


AMPD1_HUMAN AMP deaminase 1 (sprot)

An AMP deaminase 1 that is encoded in the genome of human.


AMPD1_RAT AMP deaminase 1 (sprot)

An AMP deaminase 1 that is encoded in the genome of rat.


AMPD1_MOUSE AMP deaminase 1 (sprot)

An AMP deaminase 1 that is encoded in the genome of mouse.


AMPD2_HUMAN AMP deaminase 2 (sprot)

An AMP deaminase 2 that is encoded in the genome of human.


AMPD2_RAT AMP deaminase 2 (sprot)

An AMP deaminase 2 that is encoded in the genome of rat.


AMPD3_HUMAN AMP deaminase 3 (sprot)

An AMP deaminase 3 that is encoded in the genome of human.


AMPD3_RAT AMP deaminase 3 (sprot)

An AMP deaminase 3 that is encoded in the genome of rat.


name: MK03_MOUSE Mitogen-activated protein kinase 3 (sprot)

description: A mitogen-activated protein kinase 3 that is encoded in the genome of mouse.


CP2C8_HUMAN Cytochrome P450 2C8 (sprot)

A cytochrome P450 2C8 that is encoded in the genome of human.


name: ENPP2_HUMAN Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (sprot)

description: An ectonucleotide pyrophosphatase/phosphodiesterase family member 2 that is encoded in the genome of human.


name: (2R,4S)-4-[(2-benzyl-2H-tetrazole-5-carbonyl)-amino]-5-biphenyl-4-yl-2-methyl-pentanoic acid benzyl ester


A hydroxy monocarboxylic acid anion that is the conjugate base of rosuvastatin, obtained by deprotonation of the carboxy group; major species at pH 7.3.


name: A4_RAT Amyloid-beta precursor protein (sprot)

description: An amyloid-beta precursor protein that is encoded in the genome of rat.


name: TRXR1_HUMAN Thioredoxin reductase 1, cytoplasmic (sprot)

description: A thioredoxin reductase 1, cytoplasmic that is encoded in the genome of human.


name: GSAP_HUMAN Gamma-secretase-activating protein (sprot)

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


name: cis-4-{4-[3-(4-Trifluoromethoxy-phenyl)-ureido]-cyclohexyloxy}-benzoic acid ethyl ester


name: cis-4-{4-[3-(4-Chloro-3-trifluoromethyl-phenyl)-ureido]-cyclohexyloxy}-pyridine-2-carboxylic acid tert-butyl ester


estetrol

A 3-hydroxy steroid that is 17beta-estradiol which has been substituted at the 15alpha and 16alpha positions by two additional hydroxy groups. It is a natural estrogen produced exclusively during pregnancy by the fetal liver.


TAZOBACTAM SODIUM

An organic sodium salt having tazobactam(1-) as the counterion; used in combination with ceftolozane sulfate for treatment of complicated intra-abdominal infections and complicated urinary tract infections.


AVIBACTAM SODIUM

An organic sodium salt that is the monosodium salt of avibactam. Used in combination with ceftazidime pentahydrate for the treatment of complicated urinary tract infections including pyelonephritis.


name: NTCP2_HUMAN Ileal sodium/bile acid cotransporter (sprot)

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


name: PARC_STAA8 DNA topoisomerase 4 subunit A (sprot)

description: A DNA topoisomerase 4 subunit A that is encoded in the genome of Staphylococcus aureus subsp. aureus NCTC 8325.


name: GNRHR_HUMAN Gonadotropin-releasing hormone receptor (sprot)

description: A gonadotropin-releasing hormone I receptor that is encoded in the genome of human.


name: AAKB1_HUMAN 5'-AMP-activated protein kinase subunit beta-1 (sprot)

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


name: 4-(7-Formyl-6-hydroxy-1H-benzoimidazol-2-yl)-benzoic acid methyl ester


name: PDK1_HUMAN [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial (sprot)

description: A [pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial that is encoded in the genome of human.


CASPA_HUMAN Caspase-10 (sprot)

A caspase-10 that is encoded in the genome of human.


name: TRPA1_HUMAN Transient receptor potential cation channel subfamily A member 1 (sprot)

description: A transient receptor potential cation channel TRPA1 that is encoded in the genome of human.


ibrutinib

A member of the class of acrylamides that is (3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine in which the piperidine nitrogen is replaced by an acryloyl group. A selective and covalent inhibitor of the enzyme Bruton's tyrosine kinase, it is used for treatment of B-cell malignancies.


name: BIRA_ECOLI Bifunctional ligase/repressor BirA (sprot)

description: A bifunctional ligase/repressor BirA that is encoded in the genome of Escherichia coli K-12.


SMO_HUMAN Protein smoothened (sprot)

A protein smoothened that is encoded in the genome of human.


finasteride

An aza-steroid that is a synthetic drug for the treatment of benign prostatic hyperplasia.


γ-linolenic acid

A C18, omega-6 acid fatty acid comprising a linolenic acid having cis- double bonds at positions 6, 9 and 12.


name: 3[(6,8Dimethyl2oxo1,2dihydroquinolin3 yl)methyl]1(4ethoxyphenyl)3(2hydroxyethyl)thiourea (Inh 1)


BGLR_ECOLI Beta-glucuronidase (sprot)

A beta-glucuronidase that is encoded in the genome of Escherichia coli K-12.


name: 3[(6,7Dimethyl2oxo1,2dihydroquinolin3yl)methyl]3(2hydroxyethyl)1(3 methoxyphenyl)thiourea (Inh 2)


name: Methyl 2({[(6ethyl2oxo1,2dihydroquinolin3yl)methyl](2 hydroxyethyl)carbamothioyl}amino)benzoate (Inh 4)


name: Methyl 2amino5[(3chloro4methylphenyl)carbamoyl]4methylthiophene3carboxylate (Inh 7)


name: AMYP_HUMAN Pancreatic alpha-amylase (sprot)

description: An alpha-amylase 2A that is encoded in the genome of human.


A glycosyloxyflavone that is myricetin 3-O-[beta-D-glucosyl-(1->2)-alpha-L-rhamnoside] in which the hydroxy group at position 6 of the glucosyl group has been acylated by a caffeoyl [(1E)-1-(3,4-dihydroxyphenyl)-3-oxoprop-1-en-3-yl] group.


name: GLF8_KLEPN Probable UDP-galactopyranose mutase (sprot)


name: TNKS2_HUMAN Poly [ADP-ribose] polymerase tankyrase-2 (sprot)

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


name: OGG1_HUMAN N-glycosylase/DNA lyase (sprot)

description: An N-glycosylase/DNA lyase that is encoded in the genome of human.


teriflunomide

An  enamide obtained by formal condensation of the carboxy group of (2Z)-2-cyano-3-hydroxybut-2-enoic acid with the anilino group of 4-(trifluoromethyl)aniline. Used for the treatment of relapsing forms of multiple sclerosis and rheumatoid arthritis.


name: Propane-1-sulfonic acid (R)-1-(propane-1-sulfonyl)-pyrrolidin-2-ylmethyl ester


name: 2-Methoxy-4-((8-methylnonanamido)methyl)phenyl dihydrogen phosphate (3a)


name: STA5A_HUMAN Signal transducer and activator of transcription 5A (sprot)

description: A signal transducer and activator of transcription 5a that is encoded in the genome of human.


name: 2-Methoxy-4-(nonanamidomethyl)phenyl dihydrogen phosphate (3b)


name: STA5B_HUMAN Signal transducer and activator of transcription 5B (sprot)

description: A signal transducer and activator of transcription 5b that is encoded in the genome of human.


name: 4-(Nonanamidomethyl)-1,2-phenylene bis(dihydrogen phosphate) (6b)


A member of the class of isocoumarins that is isocoumarin substituted by chloro groups at positions 3 and 4. It is a serine protease inhibitor.


name: AARA_PROST Rhomboid protease AarA (sprot)


name: GLPG_ECOLI Rhomboid protease GlpG (sprot)

description: A rhomboid protease GlpG that is encoded in the genome of Escherichia coli K-12.


name: GLUP_BACSU Rhomboid protease GluP (sprot)


name: RHBL1_MOUSE Rhomboid-related protein 1 (sprot)

description: A rhomboid-related protein 1 that is encoded in the genome of mouse.


name: RHBL3_MOUSE Rhomboid-related protein 3 (sprot)

description: A rhomboid-related protein 3 that is encoded in the genome of mouse.


BACE2_MOUSE Beta-secretase 2 (sprot)

A beta-secretase 2 that is encoded in the genome of mouse.


BACE1_MOUSE Beta-secretase 1 (sprot)

A beta-secretase 1 that is encoded in the genome of mouse.


name: CXCR3_HUMAN C-X-C chemokine receptor type 3 (sprot)

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


linagliptin

A xanthine that is 7H-xanthine bearing (4-methylquinazolin-2-yl)methyl, methyl, but-2-yn-1-yl and 3-aminopiperidin-1-yl substituents at positions 1, 3, 7 and 8 respectively (the R-enantiomer). Used for treatment of type II diabetes.


GYRB_STAAU DNA gyrase subunit B (sprot)

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


moxifloxacin

A quinolone that consists of 4-oxo-1,4-dihydroquinoline-3-carboxylic acid bearing a cyclopropyl substituent at position 1, a fluoro substitiuent at position 6, a (4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl group at position 7 and a methoxy substituent at position 8. A member of the fluoroquinolone class of antibacterial agents.


THYMOQUINONE

A member of the class of 1,4-benzoquinones that is 1,4-bezoquinone in which the hydrogens at positions 2 and 5 are replaced by methyl and isopropyl groups, respectively. It is a natural compound isolated from Nigella sativa which has demonstrated promising chemotherapeutic activity.


name: YO062_YEAST Uncharacterized protein YOR062C (sprot)

description: A protein that is a translation product of the YOR062C gene in yeast.


name: cis-4-[(2R,6S)-10-hydroxy-6,11,11-trimethyl-1,2,5,6-tetrahydro-4H-2,6-methano-benzo[d]azocine-3-carbonyl]-cyclohexane carboxylic acid methyl ester


name: PARP2_HUMAN Poly [ADP-ribose] polymerase 2 (sprot)

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


name: Tert-butyl 6-(2-(adamantan-2-yl amino)-2-oxoethyl)-1,2,6-thiadiazinan-2-carboxylate 1,1-dioxide


name: N,N-diethylcarbamic acid-4-(5,6,7-trihydroxy-4-oxo-4H-1-benzopyran-2-yl)phenyl ester (7b)


name: N,N-bis(1-methylethyl)carbamic acid-4-(5,6,7-trihydroxy-4-oxo-4H-1-benzopyran-2-yl)phenyl ester (7c)


name: N-ethyl-N-methylcarbamic acid-4-(5,6,7-trihydroxy-4-oxo-4H-1-benzopyran-2-yl)phenyl ester (7d)


name: 1-Pyrrolidinecarboxylic acid-4-(5,6,7-trihydroxy-4-oxo-4H-1-benzopyran-2-yl)phenyl ester (7e)


name: 4-Morpholinecarboxylic acid-4-(5,6,7-trihydroxy-4-oxo-4H-1-benzopyran-2-yl)phenyl ester (7f)


name: 1-Piperidinecarboxylic acid-4-(5,6,7-trihydroxy-4-oxo-4H-1-benzopyran-2-yl)phenyl ester (7g)


name: 4-(Phenylmethyl)-1-piperidinecarboxylic acid-4-(5,6,7-trihydroxy-4-oxo-4H-1-benzopyran-2-yl)phenyl ester (7h)


name: N,N-diethylcarbamic acid-4-(5,6,7-trimethoxy-4-oxo-4H-1-benzopyran-2-yl)phenyl ester (7i)


name: N,N-diethylcarbamic acid-4-[5,6,7-tris(acetyloxy)-4-oxo-4H-1-benzopyran-2-yl]phenyl ester (7k)


name: N,N-diethylcarbamic acid-4-[6,7-bis(acetyloxy)-5-hydroxy-4-oxo-4H-1-benzopyran-2-yl]phenyl ester (7l)


name: PDE1A_HUMAN Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A (sprot)

description: A dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A that is encoded in the genome of human.


sulfaphenazole

A sulfonamide that is sulfanilamide in which the sulfonamide nitrogen is substituted by a 1-phenyl-1H-pyrazol-5-yl group. It is a selective inhibitor of cytochrome P450 (CYP) 2C9 isozyme, and antibacterial agent.


CP3A5_HUMAN Cytochrome P450 3A5 (sprot)

A cytochrome P450 3A5 that is encoded in the genome of human.


venetoclax

A member of the class of pyrrolopyridines that is a potent inhibitor of the antiapoptotic protein B-cell lymphoma 2. It is used for treamtment of chronic lymphocytic leukemia with 17p deletion.


name: SCN4A_RAT Sodium channel protein type 4 subunit alpha (sprot)

description: A sodium channel protein type 4 subunit alpha that is encoded in the genome of rat.


TSHR_HUMAN Thyrotropin receptor (sprot)

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


name: KDM5B_HUMAN Lysine-specific demethylase 5B (sprot)

description: A lysine-specific demethylase 5B that is encoded in the genome of human.


name: KDM6A_HUMAN Lysine-specific demethylase 6A (sprot)

description: A lysine-specific demethylase 6A that is encoded in the genome of human.


name: NFKB1_HUMAN Nuclear factor NF-kappa-B p105 subunit (sprot)

description: A nuclear factor NF-kappa-B p105 subunit that is encoded in the genome of human.


name: MGAT2_HUMAN Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (sprot)

description: An alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase that is encoded in the genome of human.


name: NNMT_HUMAN Nicotinamide N-methyltransferase (sprot)

description: A nicotinamide N-methyltransferase that is encoded in the genome of human.


ISOQUINOLINE

An ortho-fused heteroarene that is a benzopyridine in which the N atom not directly attached to the benzene ring.


QUINOLINE

The simplest member of the quinoline class of compounds, comprising a benzene ring ortho fused to C-2 and C-3 of a pyridine ring.


name: KCNK2_HUMAN Potassium channel subfamily K member 2 (sprot)

description: A potassium channel subfamily K member 2 that is encoded in the genome of human.


amlodipine

A fully substituted dialkyl 1,4-dihydropyridine-3,5-dicarboxylate derivative, which is used for the treatment of hypertension, chronic stable angina and confirmed or suspected vasospastic angina.


glibenclamide

An N-sulfonylurea that is acetohexamide in which the acetyl group is replaced by a 2-(5-chloro-2-methoxybenzamido)ethyl group.


bupivacaine

A racemate composed of equimolar amounts of dextrobupivacaine and levobupivacaine. Used (in the form of its hydrochloride hydrate) as a local anaesthetic.


tolbutamide

An N-sulfonylurea that consists of 1-butylurea having a tosyl group attached at the 3-position.


fampridine

An aromatic amine that is pyridine bearing a single amino substituent at position 4. An orphan drug in the US, it is used to improve walking in adults with multiple sclerosis.


name: T2R14_HUMAN Taste receptor type 2 member 14 (sprot)

description: A taste receptor type 2 member 14 that is encoded in the genome of human.


CD63_HUMAN CD63 antigen (sprot)

A CD63 molecule that is encoded in the genome of human.


name: HYES_MOUSE Bifunctional epoxide hydrolase 2 (sprot)

description: An epoxide hydrolase 2 that is encoded in the genome of mouse.


name: CSK2B_HUMAN Casein kinase II subunit beta (sprot)

description: A casein kinase II subunit beta that is encoded in the genome of human.


TLR8_HUMAN Toll-like receptor 8 (sprot)

A Toll-like receptor 8 that is encoded in the genome of human.


LGMN_HUMAN Legumain (sprot)

A legumain that is encoded in the genome of human.


CAH3_BOVIN Carbonic anhydrase 3 (sprot)

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


name: 4-(3-(4-Phenyl ethyl oxygen)-5-(2-hydroxyphenyl)-4, 5-dihydro pyrazole) benzene sulfonamide (4c)


name: 4-(3-(3, 4-Dichlorobenzene base)-5-(2-hydroxyphenyl)-4, 5-dihydro pyrazole) benzene sulfonamide (4g)


name: 4-(5-(5-Chloro-2-hydroxyphenyl)-3-phenyl)-4, 5-dihydro benzene sulfonamide pyrazole) (4j)


name: -(5-(5-Chloro-2-hydroxyphenyl)-3-(4-methyl phenyl oxygen)-4, 5-dihydro pyrazole) benzene sulfonamide (4l)


name: 4-(5-(5-Chloro-2-hydroxyphenyl)-3-(3, 4-dichlorobenzene base)-4, 5-dihydro pyrazole) benzene sulfonamide (4n)


name: 4-(5-(5-Chloro-2-hydroxyphenyl)-3-(4-phenyl ethyl oxygen)-4, 5-dihydro pyrazole) benzene sulfonamide (4o)


name: 4-(5-(2-Hydroxyphenyl)-3-(4-fluorinated phenyl)-4, 5-dihydro pyrazole) benzene sulfonamide (4x)


SYUA_HUMAN Alpha-synuclein (sprot)

An alpha-synuclein that is encoded in the genome of human.


name: TAU_HUMAN Microtubule-associated protein tau (sprot)

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


name: [(2S,4R)-1-(1-Carbamoyl-1H-indol-3-ylcarbamoyl)-4-fluoro-pyrrolidin-2-ylmethyl]-carbamic acid phenyl ester


name: PD2R_HUMAN Prostaglandin D2 receptor (sprot)

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


name: VHL_HUMAN von Hippel-Lindau disease tumor suppressor (sprot)

description: A von Hippel-Lindau disease tumor suppressor that is encoded in the genome of human.


name: CXCR1_HUMAN C-X-C chemokine receptor type 1 (sprot)

description: A C-X-C chemokine receptor type 1 that is encoded in the genome of human.


name: MDR1_HUMAN ATP-dependent translocase ABCB1 (sprot)

description: An ATP-dependent translocase ABCB1 that is encoded in the genome of human.


name: ABCBB_HUMAN Bile salt export pump (sprot)

description: A bile salt export pump that is encoded in the genome of human.


name: Carbamic acid, N-[[4-[[(4-amino[1,1'-biphenyl]-3-yl)amino]carbonyl]phenyl]methyl]-, methyl ester


name: [4-(4-Amino-biphenyl-3-ylcarbamoyl)-benzyl]-carbamic acid ethyl ester


name: [4-(4-Amino-biphenyl-3-ylcarbamoyl)-benzyl]-carbamic acid phenyl ester


name: [4-(4-Amino-biphenyl-3-ylcarbamoyl)-benzyl]-carbamic acid benzyl ester


name: [4-(4-Amino-biphenyl-3-ylcarbamoyl)-benzyl]-carbamic acid pyridin-2-ylmethyl este


name: [4-(4-Amino-biphenyl-3-ylcarbamoyl)-benzyl]-carbamic acid pyridin-3-ylmethyl ester


name: TYPH_ECOSM Thymidine phosphorylase (sprot)


name: RNAS1_BOVIN Ribonuclease pancreatic (sprot)

description: A protein that is a translation product of the RNASE1 gene in cow.


name: RNAS2_HUMAN Non-secretory ribonuclease (sprot)

description: A non-secretory ribonuclease that is encoded in the genome of human.


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

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


A pyridopyrimidine that is pyrido[2,3-d]pyrimidine which is substituted at positions 2 and 4 by (3S)-3-methylmorpholin-4-yl groups and at position 5 by a 3-(hydroxymethyl)-4-methoxyphenyl group. It is an mTOR complex 1/2 (mTORC1/2) dual inhibitor [mTOR = mammalian target of rapamycin].


name: 4-[2,4-bis-((S)-3-methyl-morpholin-4-yl)-pyrido[2,3-d]pyrimidin-7-yl]-2-methoxy-benzoic acid methyl ester


name: ATP4A_PIG Potassium-transporting ATPase alpha chain 1 (sprot)

description: A potassium-transporting ATPase alpha chain 1 that is encoded in the genome of pig.


PLX5622 is a highly selective brain penetrant and orally active CSF1R inhibitor. PLX5622 allows for extended and specific microglial cells elimination, preceding and during pathology development. PLX5622 demonstrates desirable PK properties in varies animals. PLX5622 is mostly used in the way of feed free diet.


roxadustat

An N-acylglycine resulting from the formal condensation of the amino group of glycine with the carboxy group of 4-hydroxy-1-methyl-7-phenoxyisoquinoline-3-carboxylic acid. It is an inhibitor of hypoxia inducible factor prolyl hydroxylase (HIF-PH).


name: ADAM9_HUMAN Disintegrin and metalloproteinase domain-containing protein 9 (sprot)

description: A disintegrin and metalloproteinase domain-containing protein 9 that is encoded in the genome of human.


lovastatin

A fatty acid ester that is mevastatin carrying an additional methyl group on the carbobicyclic skeleton. It is used in as an anticholesteremic drug and has been found in fungal species such as Aspergillus terreus and Pleurotus ostreatus (oyster mushroom).


name: US9115126, Reference imidazopyridine derivative EP 09150709.5-Example 24c


name: 6-Methyl-2-thioxo-4-p-tolyl-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester


name: Ethyl 2-hydrazinyl-1,4-dimethyl-6-phenyl-1,6-dihydropyrimidine-5-carboxylate dihydrochloride (19)


name: Ethyl 2-hydrazinyl-1,4-dimethyl-6-(p-tolyl)-1,6-dihydropyrimidine-5-carboxylate dihydrochloride (20)


name: Methyl 2-hydrazinyl-1,4-dimethyl-6-phenyl-1,6-dihydropyrimidine-5-carboxylate dihydrochloride (21)


name: Methyl 2-hydrazinyl-1,4-dimethyl-6-(p-tolyl)-1,6-dihydropyrimidine-5-carboxylate dihydrochloride (22)


name: Ethyl 2-hydrazinyl-6-(3-hydroxyphenyl)-1,4-dimethyl-1,6-dihydropyrimidine-5-carboxylate dihydrochloride (23)


name: Ethyl 2-hydrazinyl-1,4-dimethyl-6-(p-nitrophenyl)-1,6-dihydropyrimidine-5-carboxylate dihydrochloride (24)


name: 1,3-Dimethyl-8-[4-{2-(imidazol-1-yl)-2-oxoethoxy}-phenyl] xanthine (13h, RB-447)


name: GBA1_MOUSE Lysosomal acid glucosylceramidase (sprot)

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


name: GSTP1_HUMAN Glutathione S-transferase P (sprot)

description: A glutathione S-transferase P that is encoded in the genome of human.


name: FAK1_MOUSE Focal adhesion kinase 1 (sprot)

description: A focal adhesion kinase 1 that is encoded in the genome of mouse.


febuxostat

A 1,3-thiazolemonocarboxylic acid that is 4-methyl-1,3-thiazole-5-carboxylic acid which is substituted by a 3-cyano-4-(2-methylpropoxy)phenyl group at position 2. It is an orally-active, potent, and selective xanthine oxidase inhibitor used for the treatment of chronic hyperuricaemia in patients with gout.


plumbagin

A  hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone in which the hydrogens at positions 2 and 5 are substituted by methyl and hydroxy groups, respectively.


NAPHTHAZALIN

A naphthoquinone that is 1,4-naphthoquinone in which the hydrogens at positions 5 and 8 are replaced by hydroxy groups.


AQP1_HUMAN Aquaporin-1 (sprot)

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


panobinostat

A hydroxamic acid obtained by formal condensation of the carboxy group of (2E)-3-[4-({[2-(2-methylindol-3-yl)ethyl]amino}methyl)phenyl]prop-2-enoic acid with the amino group of hydroxylamine. A histone deacetylase inhibitor used (as its lactate salt) in combination with bortezomib and dexamethasone for the treatment of multiple myeloma.


name: ANM6_HUMAN Protein arginine N-methyltransferase 6 (sprot)

description: A protein arginine N-methyltransferase 6 that is encoded in the genome of human.


name: ANM8_HUMAN Protein arginine N-methyltransferase 8 (sprot)

description: A protein arginine N-methyltransferase 8 that is encoded in the genome of human.


name: ANM1_HUMAN Protein arginine N-methyltransferase 1 (sprot)

description: A protein arginine N-methyltransferase 1 that is encoded in the genome of human.


name: ANM3_HUMAN Protein arginine N-methyltransferase 3 (sprot)

description: A protein arginine N-methyltransferase 3 that is encoded in the genome of human.


name: CARM1_HUMAN Histone-arginine methyltransferase CARM1 (sprot)

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


MS023 is a type I PRMTs inhibitor.


name: (2'R*,7R*)-3-benzyl-3,5,6,7-tetrahydrospiro [benzo[d][1,2,3]triazole-4,2'-oxiran]-7-yl benzoate (29a)


name: (2'R*,7R*)-3-benzyl-3,5,6,7-tetrahydrospiro [benzo[d][1,2,3]triazole-4,2'-oxiran]-7-yl isopropylcarbamate (30a)


name: (2'R*,7S*)-3-benzyl-3,5,6,7-tetrahydrospiro [benzo[d][1,2,3]triazole-4,2'-oxiran]-7-yl isopropylcarbamate (30b)


alectinib

An organic heterotetracyclic compound that is 6,6-dimethyl-5,6-dihydro-11H-benzo[b]carbazol-11-one carrying additional cyano, 4-(morpholin-4-yl)piperidin-1-yl and ethyl substituents at positions 3, 8 and 9 respectively. Used (as the hydrochloride salt) for the treatment of patients with anaplastic lymphoma kinase-positive, metastatic non-small cell lung cancer.


name: 4-(3-Cyano-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazol-8-yloxy)-piperidine-1-carboxylic acid tert-butyl ester


name: 3-Cyano-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazol-8-carboxylic acid oxetan-3-yl amide


name: Dimethyl-sulfamic acid 3-cyano-6,6-dimethyl-11-oxo-6,11-dihydro-5H-benzo[b]carbazol-8-yl ester


A member of the class of thienotriazolodiazepines that is the methyl ester of [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetic acid. A bromodomain and extra-terminal domain (BET)-specific inhibitor that belongs to a group of thienodiazepine-based compounds


name: GP119_HUMAN Glucose-dependent insulinotropic receptor (sprot)

description: A glucose-dependent insulinotropic receptor that is encoded in the genome of human.


name: MENC_ECOLI o-succinylbenzoate synthase (sprot)

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


MANGOSTIN

A member of the class of xanthones that is 9H-xanthene substituted by hydroxy group at positions 1, 3 and 6, a methoxy group at position 7, an oxo group at position 9 and prenyl groups at positions 2 and 8. Isolated from the stems of Cratoxylum cochinchinense, it exhibits antioxidant, antimicrobial and antitumour activities.


name: FABZ_YERPY 3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ (sprot)


name: FTO_HUMAN Alpha-ketoglutarate-dependent dioxygenase FTO (sprot)

description: An alpha-ketoglutarate-dependent dioxygenase FTO that is encoded in the genome of human.


name: PCKGC_RAT Phosphoenolpyruvate carboxykinase, cytosolic [GTP] (sprot)

description: A phosphoenolpyruvate carboxykinase, cytosolic [GTP] that is encoded in the genome of rat.


climbazole

A racemate composed of equimolar amounts of (R)- and (S)-climbazole. It is a topically applied antifungal agent used to treat human fungal skin infections.


metyrapone

An aromatic ketone that is 3,3-dimethylbutan-2-one in which the methyl groups at positions 1 and 4 are replaced by pyridin-3-yl groups. A steroid 11beta-monooxygenase (EC 1.14.15.4) inhibitor, it is used in the diagnosis of adrenal insufficiency.


cyclosporin A

A cyclic nonribosomal peptide of eleven amino acids; an immunosuppressant drug widely used in post-allogeneic organ transplant to reduce the activity of the patient's immune system, and therefore the risk of organ rejection. Also causes reversible inhibition of immunocompetent lymphocytes in the G0- and G1-phase of the cell cycle.


name: HEM3_HUMAN Porphobilinogen deaminase (sprot)

description: A porphobilinogen deaminase that is encoded in the genome of human.


loratadine

A benzocycloheptapyridine that is 6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine substituted by a chloro group at position 8 and a 1-(ethoxycarbonyl)piperidin-4-ylidene group at position 11. It is a H1-receptor antagonist commonly employed in the treatment of allergic disorders.


name: PGES2_HUMAN Prostaglandin E synthase 2 (sprot)

description: A prostaglandin E synthase 2 that is encoded in the genome of human.


BEAUVERIOLIDE I

A cyclodepsipeptide with formula C27H41N3O5. It was originally isolated from the fungus Beauveria sp. FO-6979 during a screening program for inhibitors of lipid droplet accumulation in murine macrophages. It is an inhibitor of acyl-CoA: cholesterol acyltransferase (ACAT) and effective at reducing atherogenic lesions of the artery and heart in mouse models.


name: SOAT2_HUMAN Sterol O-acyltransferase 2 (sprot)

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


name: acetic acid 4-[3-((R)-1-amino-propyl)-6-chloro-2-fluoro-benzoyl]-benzyl ester


name: NMT_ASPFU Glycylpeptide N-tetradecanoyltransferase (sprot)


name: HEMH_HUMAN Ferrochelatase, mitochondrial (sprot)

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


An imidazoquinoline that is 3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinoline substituted at position 1 by a 3-trifluoromethyl-4-(piperazin-1-yl)phenyl group and at position 8 by a 6-methoxypyridin-3-yl group. A dual PI3K/mTOR inhibitor.


cabozantinib

A dicarboxylic acid diamide that is N-phenyl-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide in which the hydrogen at position 4 on the phenyl ring is substituted by a (6,7-dimethoxyquinolin-4-yl)oxy group. A multi-tyrosine kinase inhibitor, used (as its malate salt) for the treatment of progressive, metastatic, medullary thyroid cancer.


crenolanib

A member of the class of benzimidazoles that is 1H-benzimidazole which is substituted by a 8-(4-aminopiperidin-1-yl)quinolin-2-yl group at position 1 and by a (3-methyloxetan-3-yl)methoxy group at position 5. It is an inhibitor of type III tyrosine kinases, PDGFRalpha/beta and FLT3 (IC50 of 11, 3.2, and 4 nM). Currently under clinical development for the treatment of acute myeloid leukemia.


lenvatinib

A member of the class of quinolines that is the carboxamide of 4-{3-chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-methoxyquinoline-6-carboxylic acid. A multi-kinase inhibitor and orphan drug used (as its mesylate salt) for the treatment of various types of thyroid cancer that do not respond to radioiodine.


A member of the class of benzocycloheptapyridines that is 5H-benzo[4,5]cyclohepta[1,2-b]pyridin-5-one substituted by 1-methyl-1H-pyrazol-4-yl and [{[(2R)-1,4-dioxan-2-yl]methyl}(methyl)sulfamoyl]amino groups at positions 3 and 7, respectively. It is a novel ATP-competitive multi-targeted inhibitor of activated c-Met (IC50 = 2.5 nM).


momelotinib

A benzamide obtained by formal condensation of the carboxy group of 4-{2-[4-(morpholin-4-yl)anilino]pyrimidin-4-yl}benzoic acid with the primary amino group of aminoacetonitrile. It is an ATP-competitive JAK1/JAK2 inhibitor with IC50 of 11 nM and 18 nM, respectively. Used for the treatment of patients with intermediate- or high-risk myelofibrosis.


neratinib

A quinoline compound having a cyano group at the 3-position, a 3-chloro-4-(2-pyridylmethoxy)anilino group at the 4-position, a 4-dimethylamino-trans-but-2-enoylamido group at the 6-position, and an ethoxy group at the 7-position.


vemurafenib

A pyrrolopyridine that is 1H-pyrrolo[2,3-b]pyridine which is substituted at position 5 by a p-chlorophenyl group and at positions 3 by a 3-amino-2,6-difluorobenzoyl group, the amino group of which has undergone formal condensation with propane-1-sulfonic acid to give the corresponding sulfonamide. An inhibitor of BRAF and other kinases.


name: P3C2A_HUMAN Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha (sprot)

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


name: F13A_HUMAN Coagulation factor XIII A chain (sprot)

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


name: TGM1_HUMAN Protein-glutamine gamma-glutamyltransferase K (sprot)

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


name: TGM3_HUMAN Protein-glutamine gamma-glutamyltransferase E (sprot)

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


name: TGM3L_HUMAN Protein-glutamine gamma-glutamyltransferase 6 (sprot)

description: A protein-glutamine gamma-glutamyltransferase 6 that is encoded in the genome of human.


name: PK3CA_MOUSE 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 mouse.


name: AOC3_BOVIN Amine oxidase [copper-containing] 3 (sprot)


rebastinib

A member of the class of ureas that is urea in which one of the nitrogens bears a 3-tert-butyl-1-(quinolin-6-yl)-1H-pyrazol-5-yl substituent, while the other bears a 2-fluoro-4-{[2-(methylcarbamoyl)pyridin-4-yl]oxy}phenyl substituent.


name: TGM2_CAVCU Protein-glutamine gamma-glutamyltransferase 2 (sprot)


name: FTSZ_STAAU Cell division protein FtsZ (sprot)

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


name: FTSZ_ECOLI Cell division protein FtsZ (sprot)

description: A cell division protein FtsZ that is encoded in the genome of Escherichia coli K-12.


name: (R)-3-(4-Cyano-2-oxo-2H-pyridin-1-yl)-pyrrolidine-1-carboxylic acid 5-hydroxy-adamantan-2-yl ester


name: 5HT1A_MOUSE 5-hydroxytryptamine receptor 1A (sprot)

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


name: 5HT1D_MOUSE 5-hydroxytryptamine receptor 1D (sprot)

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


name: 5HT2C_MOUSE 5-hydroxytryptamine receptor 2C (sprot)

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


name: ADA1A_MOUSE Alpha-1A adrenergic receptor (sprot)

description: An alpha-1A adrenergic receptor that is encoded in the genome of mouse.


name: ADA1B_MOUSE Alpha-1B adrenergic receptor (sprot)

description: An alpha-1B adrenergic receptor that is encoded in the genome of mouse.


name: DRD3_MOUSE D(3) dopamine receptor (sprot)

description: A D(3) dopamine receptor that is encoded in the genome of mouse.


name: DRD4_MOUSE D(4) dopamine receptor (sprot)

description: A D(4) dopamine receptor that is encoded in the genome of mouse.


name: DRD5_MOUSE D(1B) dopamine receptor (sprot)

description: A D(1B) dopamine receptor that is encoded in the genome of mouse.


name: SPRE_HUMAN Sepiapterin reductase (sprot)

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


name: ODP2_MYCTU Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex (sprot)


name: DLDH_MYCTU Dihydrolipoyl dehydrogenase (sprot)


name: 2-[(4-Quinolin-3-ylmethyl-piperazine-1-carbonyl)-amino]-benzoic acid methyl ester


name: GTR1_HUMAN Solute carrier family 2, facilitated glucose transporter member 1 (sprot)

description: A solute carrier family 2, facilitated glucose transporter member 1 that is encoded in the genome of human.


name: TYDP2_MOUSE Tyrosyl-DNA phosphodiesterase 2 (sprot)

description: A tyrosyl-DNA phosphodiesterase 2 that is encoded in the genome of mouse.


name: (+/-)-2-bromo-4-(2-carboxymethoxy-5-chloro-phenyl)-6,7-dihydro-4H-thiazolo[5,4-c]pyridine-5-carboxylic acid benzyl ester


name: (+/-)-4-(2-Carboxymethoxy-5-fluoro-phenyl)-6,7-dihydro-4H-thiazolo[5,4-c]pyridine-5-carboxylic acid benzyl ester


name: SHH_MOUSE Sonic hedgehog protein (sprot)

description: A sonic hedgehog protein that is encoded in the genome of mouse.


name: TSHB_BOVIN Thyrotropin subunit beta (sprot)


etravirine

An aminopyrimidine that consists of 2,6-diaminopyrimidine bearing a bromo substituent at position 5, a 4-cyano-2,6-dimethylphenoxy substituent at position 4 and having a 4-cyanophenyl substituent attached to the 2-amino group. NNRTI of HIV-1, binds directly to RT and blocks RNA-dependent and DNA-dependent DNA polymerase activities


paclitaxel

A tetracyclic diterpenoid isolated originally from the bark of the Pacific yew tree, Taxus brevifolia. It is a mitotic inhibitor used in cancer chemotherapy. Note that the use of the former generic name 'taxol' is now limited, as Taxol is a registered trade mark.


ifosfamide

The simplest member of the class of  ifosfamides that is 1,3,2-oxazaphosphinan-2-amine 2-oxide substituted by 2-chloroethyl groups on both the nitrogen atoms respectively. It is a nitrogen mustard alkylating agent used in the treatment of advanced breast cancer.


felodipine

The mixed (methyl, ethyl) diester of 4-(2,3-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid. A calcium-channel blocker, it lowers blood pressure by reducing peripheral vascular resistance through a highly selective action on smooth muscle in arteriolar resistance vessels. It is used in the management of hypertension and angina pectoris.


name: GLP1R_HUMAN Glucagon-like peptide 1 receptor (sprot)

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


saxitoxin

An alkaloid isolated from the marine dinoflagellates and cyanobacteria that causes paralytic shellfish poisoning.


diethyldithiocarbamate

A member of the class of dithiocarbamate anions resulting from the removal of the proton from the dithiocarbamic acid moiety of diethyldithiocarbamic acid.


name: 4-{2-Carboxy-2-[2-(4-fluoro-phenyl)-ethylsulfanyl]-ethyl}-benzoic acid 2-phenyl-5 trifluoromethyl-oxazol-4-ylmethyl ester


name: 4-(2-Carboxy-2-ethoxy-ethyl)-benzoic acid 4-methanesulfonyloxy-benzyl ester


name: LYAG_MOUSE Lysosomal alpha-glucosidase (sprot)

description: A lysosomal alpha-glucosidase that is encoded in the genome of mouse.


name: FABV_YERPE Enoyl-[acyl-carrier-protein] reductase [NADH] (sprot)


name: FABV_YERPY Enoyl-[acyl-carrier-protein] reductase [NADH] (sprot)


name: GPR6_HUMAN G-protein coupled receptor 6 (sprot)

description: A G-protein coupled receptor 6 that is encoded in the genome of human.


name: KDM5D_HUMAN Lysine-specific demethylase 5D (sprot)

description: A lysine-specific demethylase 5D that is encoded in the genome of human.


probucol

A dithioketal that is propane-2,2-dithiol in which the hydrogens attached to both sulfur atoms are replaced by 3,5-di-tert-butyl-4-hydroxyphenyl groups. An anticholesteremic drug with antioxidant and anti-inflammatory properties, it is used to treat high levels of cholesterol in blood.


dithranol

An anthracene compound derived by the substitution of -OH groups for hydrogen at C-1 and C-8, and with an oxo group at C-9.


NMDA

An aspartic acid derivative having an N-methyl substituent and D-configuration.


name: TRPV4_HUMAN Transient receptor potential cation channel subfamily V member 4 (sprot)

description: A transient receptor potential cation channel TRPV4 that is encoded in the genome of human.


name: JUN_HUMAN Transcription factor Jun (sprot)

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


name: (rac)-Propionic acid 4-(3-fluoro-4-trifluoromethyl-phenyl)-6,7-dihydro-5H-[2]pyrindin-7-yl ester


CYB_HUMAN Cytochrome b (sprot)

A cytochrome b that is encoded in the genome of human.


name: 2-(3-phenyl-1-indazolyl)acetic acid methyl ester


name: 2-[3-(3-methoxyphenyl)-1-indazolyl]acetic acid methyl ester


name: ARAF_HUMAN Serine/threonine-protein kinase A-Raf (sprot)

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


name: GGPPS_YEAST Geranylgeranyl pyrophosphate synthase BTS1 (sprot)

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


A member of the class of phenylureas that is a potent inhibitor of salt-inducible kinase 2, a potential target protein for therapy in ovarian cancer.


IL10_HUMAN Interleukin-10 (sprot)

An interleukin-10 that is encoded in the genome of human.


A member of the class of indoles that is 1H-indole substituted by a 2-[4-(4-aminopiperidin-1-yl)-2-methoxyanilino]-5-chloropyrimidin-4-yl group at position 3. It is an orally bioavailable dual inhibitor of ALK and IGF1R with Ki value of 0.75 nM for ALK.


A member of the class of pyrimidines that is 5-methylpyrimidine-2,4-diamine in which the amino group at position 2 is substituted by a p-(4-methylpiperazin-1-yl)phenyl group, while that at position 4 is substituted by a m-(tert-butylsulfamoyl)phenyl group. A Janus kinase 2 (JAK2) inhibitor.


ceritinib

A member of the class of aminopyrimidines that is 2,6-diamino-5-chloropyrimidine in which the amino groups at positions 2 and 6 are respectively carrying 2-methoxy-4-(piperidin-4-yl)-5-methylphenyl and 2-(isopropylsulfonyl)phenyl substituents. Used for the treatment of ALK-positive metastatic non-small cell lung cancer.


BGAL_ECOLI Beta-galactosidase (sprot)

A bacterial-type beta-galactosidase that is encoded in the genome of Escherichia coli K-12.


isopropyl beta-D-thiogalactopyranoside

An S-glycosyl compound consisting of beta-D-1-thiogalactose having an isopropyl group attached to the anomeric sulfur.


camostat

A benzoate ester resulting from the formal condensation of the carboxy group of 4-guanidinobenzoic acid with the hydroxy group of 2-(dimethylamino)-2-oxoethyl (4-hydroxyphenyl)acetate. It is a potent inhibitor of the human transmembrane protease serine 2 (TMPRSS2) and its mesylate salt is currently under investigation for its effectiveness in COVID-19 patients.


BGLR_HUMAN Beta-glucuronidase (sprot)

A beta-glucuronidase that is encoded in the genome of human.


name: TYPH_ECO45 Thymidine phosphorylase (sprot)


name: AK1A1_BOVIN Aldo-keto reductase family 1 member A1 (sprot)


valproic acid

A branched-chain saturated fatty acid that comprises of a propyl substituent on a pentanoic acid stem.


name: ALDR_BOVIN Aldo-keto reductase family 1 member B1 (sprot)


sulindac

A monocarboxylic acid that is 1-benzylidene-1H-indene which is substituted at positions 2, 3, and 5 by methyl, carboxymethyl, and fluorine respectively, and in which the phenyl group of the benzylidene moiety is substituted at the para position by a methylsulfinyl group. It is a prodrug for the corresponding sulfide, a non-steroidal anti-inflammatory drug, used particularly in the treatment of acute and chronic inflammatory conditions.


name: CWH41_YEAST Mannosyl-oligosaccharide glucosidase (sprot)

description: A mannosyl-oligosaccharide glucosidase that is encoded in the genome of yeast.