name: 1H-1,3-Diazepine-1,3(2H)-dihexanoic acid, tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-


POL_HV1BR Gag-Pol polyprotein (sprot)

A lentivirus-type gag-pol polyprotein that is encoded in the genome of Human immunodeficiency virus type 1 group M subtype B (isolate BRU/LAI).


POL_HV196 Gag-Pol polyprotein (sprot)

A lentivirus-type gag-pol polyprotein that is encoded in the genome of Human immunodeficiency virus type 1 group M subtype K (isolate 96CM-MP535).


name: 1H-1,3-Diazepine-1,3(2H)-dihexanoic acid, tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-, dimethyl ester, (4R,5S,6S,7R)-


A 1,3-diazepanone ring with two 4-(hydroxymethyl)benzyl groups as substituents at positions N-1 and N-4, two benzyl groups at C-4 and C-7, and two hydroxy groups at C-5 and C-6 respectively.


A member of the class of diazepanones that is 1,3-diazepane which is substituted by a 3-(1,3-thiazol-2-ylcarbamoyl)benzyl group at positions 1 and 3, oxo group at position 2, hydroxy groups at positions 5S and 6S, and benzyl groups at positions 4R and 7R. It is a potent HIV-1 protease inhibitor.


GALK1_HUMAN Galactokinase (sprot)

A galactokinase that is encoded in the genome of human.


POL_HV1N5 Gag-Pol polyprotein (sprot)

A lentivirus-type gag-pol polyprotein that is encoded in the genome of Human immunodeficiency virus type 1 group M subtype B (isolate NY5).


CASP3_HUMAN Caspase-3 (sprot)

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


CASP1_HUMAN Caspase-1 (sprot)

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


CASP4_HUMAN Caspase-4 (sprot)

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


darunavir

An N,N-disubstituted benzenesulfonamide bearing an unsubstituted amino group at the 4-position, used for the treatment of HIV infection. A second-generation HIV protease inhibitor, darunavir was designed to form robust interactions with the protease  enzyme from many strains of HIV, including those from treatment-experienced patients with multiple resistance mutations to other protease inhibitors.


CASP7_HUMAN Caspase-7 (sprot)

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


CASP6_HUMAN Caspase-6 (sprot)

A caspase-6 that is encoded in the genome of human.


CASP5_HUMAN Caspase-5 (sprot)

A caspase-5 that is encoded in the genome of human.


CASP8_HUMAN Caspase-8 (sprot)

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


Ac-DEVD-CHO

A tetrapeptide consisting of two L-aspartic acid residues, an L-glutamyl residue and an L-valine residue with an acetyl group at the N-terminal and with the C-terminal carboxy group reduced to an aldehyde. It is an inhibitor of caspase-3/7.


CASP2_HUMAN Caspase-2 (sprot)

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


name: 1-(2OHPr)-4-Substit-piperazine, thienyl carbamate deriv. 1


name: Thienopyridine thienyl urethane deriv. 9


name: Thienopyridine thienyl urethane deriv. 12


name: Thienopyridine thienyl urethane deriv. 14


name: Thienopyridine thienyl urethane deriv. 17


name: Carbamic acid, ((1S,2S,4R)-5-(((1S,2R)-2,3-dihydro-2-hydroxy-1H-inden-1-yl)amino)-2-hydroxy-5-oxo-1,4-bis(phenylmethyl)pentyl)-, (3S)-tetrahydro-3-furanyl ester


name: Carbamic acid, (5-((2,3-dihydro-2-hydroxy-1H-inden-1-yl)amino)-2-hydroxy-5-oxo-1,4-bis(phenylmethyl)pentyl)-, tetrahydro-3-furanyl ester, (1S-(1alpha(1R*(S*),2R*,4S*),2alpha))-


name: Carbamic acid, (5-((2,3-dihydro-2-hydroxy-1H-inden-1-yl)amino)-2-hydroxy-5-oxo-1,4-bis(phenylmethyl)pentyl)-, cyclopentyl ester, (1S-(1alpha(1R*,2R*,4S*),2alpha))-


name: Carbamic acid, (5-((2,3-dihydro-2-hydroxy-1H-inden-1-yl)amino)-2-hydroxy-5-oxo-1,4-bis(phenylmethyl)pentyl)-, tetrahydro-2H-pyran-3-yl ester, (1S-(1alpha(1R*(R*),2R*,4S*),2alpha))-


name: Carbamic acid, (5-((2,3-dihydro-2-hydroxy-1H-inden-1-yl)amino)-2-hydroxy-5-oxo-1,4-bis(phenylmethyl)pentyl)-, tetrahydro-2H-pyran-3-yl ester, (1S-(1alpha(1R*(S*),2R*,4S*),2alpha))-


POL_HV1H2 Gag-Pol polyprotein (sprot)

A lentivirus-type gag-pol polyprotein that is encoded in the genome of human immunodeficiency virus type 1 group M subtype B (isolate HXB2).


tipranavir

A pyridine-2-sulfonamide substituted at C-5 by a trifluoromethyl group and at the sulfonamide nitrogen by a dihydropyrone-containing m-tolyl substituent. It is an HIV-1 protease inhibitor.


name: 12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-13,13-dimethyl-11-oxo-3-(phenylmethyl)-9-(4-pyridinylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-


name: 12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-3-((4-hydroxyphenyl)methyl)-13,13-dimethyl-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-


name: 12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-3-((3-hydroxyphenyl)methyl)-13,13-dimethyl-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-


name: 12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-3-((2-hydroxyphenyl)methyl)-13,13-dimethyl-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-


name: 12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-3-((4-(2-(1H-imidazol-1-yl)ethoxy)phenyl)methyl)-13,13-dimethyl-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-


name: 12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-13,13-dimethyl-11-oxo-3-(phenylmethyl)-9-((4-(2-(2-pyridinyl)ethoxy)phenyl)methyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-


name: 12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-3-((4-(2-hydroxyethoxy)phenyl)methyl)-13,13-dimethyl-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-


name: 12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-3-((4-(2-methoxyethoxy)phenyl)methyl)-13,13-dimethyl-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-


name: 12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-3-((4-(2-hydroxy-2-methylpropoxy)phenyl)methyl)-13,13-dimethyl-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-


name: 12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-13,13-dimethyl-3-((4-(2-(4-morpholinyl)-2-oxoethoxy)phenyl)methyl)-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S,4R,8R,9S)-


name: 12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-13,13-dimethyl-3-((4-(3-(4-morpholinyl)-3-oxopropyl)phenyl)methyl)-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-


name: 12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-13,13-dimethyl-3-((4-(2-(4-morpholinyl)ethoxy)phenyl)methyl)-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-


name: 12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-13,13-dimethyl-11-oxo-3-((4-(2-oxo-2-(1-piperidinyl)ethoxy)phenyl)methyl)-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-


name: 12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-13,13-dimethyl-11-oxo-3-((4-(phenylmethoxy)phenyl)methyl)-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-


name: 12-Oxa-2,6,10-triazatetradecanoic acid, 3-((4-(3-(2-benzoxazolyl)propoxy)phenyl)methyl)-4,8-dihydroxy-13,13-dimethyl-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-


name: 12-Oxa-2,6,10-triazatetradecanoic acid, 3-((4-(2-benzoxazolylmethoxy)phenyl)methyl)-4,8-dihydroxy-13,13-dimethyl-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-


name: 12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-3-((4-(4-methoxybutoxy)phenyl)methyl)-13,13-dimethyl-11-oxo-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-


name: 12-Oxa-2,6,10-triazatetradecanoic acid, 4,8-dihydroxy-13,13-dimethyl-11-oxo-3-((4-(3-(3-oxo-4-morpholinyl)propoxy)phenyl)methyl)-9-(phenylmethyl)-, 1,1-dimethylethyl ester, (3S-(3R*,4S*,8S*,9R*))-


POL_HV2RO Gag-Pol polyprotein (sprot)

A lentivirus-type gag-pol polyprotein that is encoded in the genome of Human immunodeficiency virus type 2 subtype A (isolate ROD).


saquinavir

An aspartic acid derivative obtained by formal condensation of the primary amino group of (2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)octahydroisoquinolin-2(1H)-yl]-3-hydroxy-1-phenylbutan-2-ylamine with the carboxy group of N(2)(-quinolin-2-ylcarbonyl)-L-asparagine. An inhibitor of HIV-1 protease.


phenprocoumon

A hydroxycoumarin that is 4-hydroxycoumarin which is substituted at position 3 by a 1-phenylpropyl group.


ritonavir

An L-valine derivative that is L-valinamide in which alpha-amino group has been acylated by a [(2-isopropyl-1,3-thiazol-4-yl)methyl]methylcarbamoyl group and in which a hydrogen of the carboxamide amino group has been replaced by a (2R,4S,5S)-4-hydroxy-1,6-diphenyl-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl group. A CYP3A inhibitor and antiretroviral drug from the protease inhibitor class used to treat HIV infection and AIDS, it is often used as a fixed-dose combination with another protease inhibitor, lopinavir. Also used in combination with dasabuvir sodium hydrate, ombitasvir and paritaprevir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver.


nelfinavir

An aryl sulfide that is used (as its mesylate salt) for treatment of HIV and also exhibits some anticancer properties.


POL_HV1A2 Gag-Pol polyprotein (sprot)

A lentivirus-type gag-pol polyprotein that is encoded in the genome of Human immunodeficiency virus type 1 group M subtype B (isolate ARV2/SF2).


name: Carbamic acid, ((1S,2S,4R)-5-(((1S,2S,3R)-2,3-dihydro-2,3-dihydroxy-1H-inden-1-yl)amino)-2-hydroxy-5-oxo-1,4-bis(phenylmethyl)pentyl)-, 1,1-dimethylethyl ester


name: Carbamic acid, (5-((3-amino-2,3-dihydro-2-hydroxy-1H-inden-1-yl)amino)-2-hydroxy-5-oxo-1,4-bis(phenylmethyl)pentyl)-, 1,1-dimethylethyl ester, (1S-(1a(1R*,2R*,4S*),2alpha,3alpha))-


name: 1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 22


name: 1OH-2(Cbz-Tle)3PhPr [14]paracyclophane deriv. 33


name: [1-Benzyl-2-hydroxy-4-(2-hydroxy-indan-1-ylcarbamoyl)-5-(4-hydroxy-phenyl)-pentyl]-carbamic acid tert-butyl ester


PEPSTATIN

A pentapeptide isolated from Streptomyces testaceus. It is a potent inhibitor of aspartyl proteases.


name: ((1S,2S,3R)-1-Benzyl-3-benzylamino-3-benzylcarbamoyl-2-hydroxy-propyl)-carbamic acid tert-butyl ester


name: 2-Aminobenzyl-Substituted AHPPA deriv. 11


name: 2-Aminobenzyl-Substituted AHPPA deriv. 35


name: Carbamic acid, (2-hydroxy-5-((3-methyl-1-(((phenylmethyl)amino)carbonyl)butyl)amino)-5-oxo-1,4-bis(phenylmethyl)pentyl)-, 1,1-dimethylethyl ester, (1S-(1R*,2R*,4S*,5(R*)))-


name: Carbamic acid, (2-hydroxy-5-((3-methyl-1-(((2-phenylethyl)amino)carbonyl)butyl)amino)-5-oxo-1,4-bis(phenylmethyl)pentyl)-, 1,1-dimethylethyl ester, (1S-(1R*,2R*,4S*(R*)))-


nevirapine

A dipyridodiazepine that is  5,11-dihydro-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepine which is substituted by methyl, oxo, and cyclopropyl groups at positions 4, 6, and 11, respectively. A non-nucleoside reverse transcriptase inhibitor with activity against HIV-1, it is used in combination with other antiretrovirals for the treatment of HIV infection.


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 32a


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 32b


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 32c


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 33b


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 33c


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 33d


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 33e


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 34b


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 34c


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 34d


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 34e


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 34f


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 34g


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 34h


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 34i


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 35b


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 35c


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 35d


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 35e


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 35f


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 35g


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 35h


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 35i


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 35j


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 35l


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 35m


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 35n


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 35o


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 35p


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 35q


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 35r


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 35s


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 35t


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 36c


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 36d


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 36e


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 36f


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 36g


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 36h


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 36i


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 36j


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 36k


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 37a


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 37c


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 37e


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 37f


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 37g


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 37h


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 37j


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 37k


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 43a


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 43b


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 43c


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 44b


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 44c


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 44d


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 44e


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 45a


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 45b


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 45c


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 45d


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 46a


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 46b


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 47a


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 47b


name: Sulfonamide-Substituted Cyclooctylpyranone deriv. 47c


POL_HV1B1 Gag-Pol polyprotein (sprot)

A lentivirus-type gag-pol polyprotein that is encoded in the genome of Human immunodeficiency virus type 1 group M subtype B (isolate BH10).


A dipyridodiazepine that is nevirapine in which one of the hydrogens of the methyl group has been substituted by a hydroxy group. It is a metabolite of the anti-HIV drug, nevirapine.


name: LIPS_HUMAN Hormone-sensitive lipase (sprot)

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


name: MP2K1_HUMAN Dual specificity mitogen-activated protein kinase kinase 1 (sprot)

description: A dual specificity mitogen-activated protein kinase kinase 1 that is encoded in the genome of human.


name: DHI1_HUMAN 11-beta-hydroxysteroid dehydrogenase 1 (sprot)

description: An 11-beta-hydroxysteroid dehydrogenase 1 that is encoded in the genome of human.


name: DHI1_MOUSE 11-beta-hydroxysteroid dehydrogenase 1 (sprot)

description: An 11-beta-hydroxysteroid dehydrogenase 1 that is encoded in the genome of mouse.


name: DHI1_RAT 11-beta-hydroxysteroid dehydrogenase 1 (sprot)

description: An 11-beta-hydroxysteroid dehydrogenase 1 that is encoded in the genome of rat.


name: 4-Thiazolecarboxylic acid, 2-((((2-phenylethyl)amino)thioxomethyl)amino)-, ethyl ester


name: ({3-[1-(4-Hydroxy-2-oxo-2H-chromen-3-YL)-propyl]-phenylcarbamoyl}-methyl)-carbamic acid tert-butyl ester


delavirdine

The amide resulting from the formal condensation of 5-[(methylsulfonyl)amino]-1H-indole-2-carboxylic acid and 4-amino group of 1-[3-(isopropylamino)pyridin-2-yl]piperazine, delavirdine is a non-nucleoside reverse transcriptase inhibitor with activity specific for HIV-1. Viral resistance emerges rapidly when delavirdine is used alone, so it is therefore used (as the methanesulfonic acid salt) with other antiretrovirals for combination therapy of HIV infection.


name: 1H-Indole-2-carboxylic acid, 5-chloro-3-(phenylthio)-, methyl ester


EMIVIRINE

A pyrimidone that is uracil which is substituted at positions 1, 5 and 6 by ethoxymethyl, isopropyl, and benzyl groups, respectively. A non-nucleoside inhibitor of HIV-1 reverse transcriptase, emivirine was an unsuccessful experimental agent for the treatment of HIV.


name: 1H-Pyrrole-2-carboxylic acid, 1-((2-amino-5-chlorophenyl)sulfonyl)-, methyl ester


name: 1H-Pyrrole-2-carboxylic acid, 1-((2-amino-5-chlorophenyl)sulfonyl)-, ethyl ester


name: 1H-Pyrrole-2-carboxylic acid, 1-((2-amino-5-chlorophenyl)sulfonyl)-, propyl


name: 1H-Pyrrole-2-carboxylic acid, 1-((2-amino-5-chlorophenyl)sulfonyl)-, 1-methylethyl ester


name: 1H-Pyrrole-2-carboxylic acid, 1-((2-amino-5-chlorophenyl)sulfonyl)-, 2-propenyl ester


name: 1H-Pyrrole-2-carboxylic acid, 1-((5-methyl-2-nitrophenyl)sulfonyl)-, ethyl ester


name: 1H-Pyrrole-2-carboxylic acid, 1-((2-amino-5-methylphenyl)sulfonyl)-, ethyl ester


name: FAK1_HUMAN Focal adhesion kinase 1 (sprot)

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


name: JAK2_HUMAN Tyrosine-protein kinase JAK2 (sprot)

description: A tyrosine-protein kinase JAK2 that is encoded in the genome of human.


name: JAK3_HUMAN Tyrosine-protein kinase JAK3 (sprot)

description: A tyrosine-protein kinase JAK3 that is encoded in the genome of human.


efavirenz

1,4-Dihydro-2H-3,1-benzoxazin-2-one substituted at the 4 position by cyclopropylethynyl and trifluoromethyl groups (S configuration) and at the 6 position by chlorine. A non-nucleoside reverse transcriptase inhibitor with activity against HIV, it is used with other antiretrovirals for combination therapy of HIV infection.


name: KPCB_RAT Protein kinase C beta type (sprot)

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


name: KAPCA_BOVIN cAMP-dependent protein kinase catalytic subunit alpha (sprot)

description: A cAMP-dependent protein kinase catalytic subunit alpha that is encoded in the genome of cow.


name: KAPCA_RAT cAMP-dependent protein kinase catalytic subunit alpha (sprot)

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


name: KPB1_RABIT Phosphorylase b kinase regulatory subunit alpha, skeletal muscle isoform (sprot)


name: EGFR_HUMAN Epidermal growth factor receptor (sprot)

description: An epidermal growth factor receptor that is encoded in the genome of human.


name: ABL_MLVAB Tyrosine-protein kinase transforming protein Abl (sprot)


name: SRC_HUMAN Proto-oncogene tyrosine-protein kinase Src (sprot)

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


name: KPCA_BOVIN Protein kinase C alpha type (sprot)

description: A protein kinase C alpha type that is encoded in the genome of cow.


name: CDK1_HUMAN Cyclin-dependent kinase 1 (sprot)

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


A member of the class of quinazolines carrying a 3-bromophenylamino substituent at position 4 and two methoxy substituents at positions 6 and 7.


name: MYLK_CHICK Myosin light chain kinase, smooth muscle (sprot)

description: A myosin light chain kinase, smooth muscle that is encoded in the genome of chicken.


name: KGP1_BOVIN cGMP-dependent protein kinase 1 (sprot)


name: PTN2_RAT Tyrosine-protein phosphatase non-receptor type 2 (sprot)

description: A tyrosine-protein phosphatase non-receptor type 2 that is encoded in the genome of rat.


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

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


name: FGFR1_HUMAN Fibroblast growth factor receptor 1 (sprot)

description: A fibroblast growth factor receptor 1 that is encoded in the genome of human.


name: KPCA_HUMAN Protein kinase C alpha type (sprot)

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


name: KPCB_HUMAN Protein kinase C beta type (sprot)

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


name: KPCG_HUMAN Protein kinase C gamma type (sprot)

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


name: KPCD_HUMAN Protein kinase C delta type (sprot)

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


name: KPCE_HUMAN Protein kinase C epsilon type (sprot)

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


name: KPCL_HUMAN Protein kinase C eta type (sprot)

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


name: KPCZ_HUMAN Protein kinase C zeta type (sprot)

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


HYEP_HUMAN Epoxide hydrolase 1 (sprot)

An epoxide hydrolase 1 that is encoded in the genome of human.


name: 3-{4-[(3-Adamantan-1-yl-ureido)-methyl]-piperidine-1-carbonyl}-benzoic acid methyl ester


name: 4-{4-[(3-Adamantan-1-yl-ureido)-methyl]-piperidine-1-carbonyl}-benzoic acid methyl ester


name: MET_HUMAN Hepatocyte growth factor receptor (sprot)

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


CMA1_HUMAN Chymase (sprot)

A chymase that is encoded in the genome of human.


GLUC_HUMAN Pro-glucagon (sprot)

A pro-glucagon that is encoded in the genome of human.


A member of the class of quinazolines that is quinazoline which is substituted by a benzylnitrilo group at position 4.


A member of the class of quinazolines that is quinazoline which is substituted by a (3-methoxyphenyl)nitrilo group at position 4.


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

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


name: SRC_AVISR Tyrosine-protein kinase transforming protein Src (sprot)


A member of the class of pyridopyrimidines that is pyrido[2,3-d]pyrimidine substituted by an amino group at position 2, 3,5-dimethoxyphenyl group at position 6, and by a (tert-butylcarbamoyl)nitrilo group at position 7. It is a selective ATP competitive inhibitor of the human fibroblast growth factor-1 receptor (FGFR1) tyrosine kinase with an IC50 of 52.4 nM.


A member of the class of  quinazolines that is quinazoline substituted by methoxy groups at positions 6 and 7 and a (3-chlorophenyl)nitrilo group at position 4. It acts as an  epidermal growth factor receptor antagonist.


PD 158780

A pyridopyrimidine that is pyrido[3,4-d]pyrimidine-4,6-diamine in which the amino groups at positions 4 and 6 are substituted by a m-bromophenyl group and a methyl group, respectively.  It is a potent, cell-permeable, reversible ATP-competitive inhibitor of EGFR tyrosine kinase activity [IC50 values of 0.008, 49 and 52 nM for EGFR, ErbB2 (HER2) and Erb4 (HER4)]. It does not inhibit FGF or PDGF-mediated tyrosine phosphorylation. Induces G1 cell cycle arrest in MCF10A cells and is antiproliferative in A431 human epidermal carcinoma cells.


name: 2-thioxo-1H-indole-3-alkanoic acid deriv. 5


name: 1H-Indole-3-acetic acid, 2,3-dihydro-2-thioxo-, methyl ester


name: 2-thioxo-1H-indole-3-alkanoic acid deriv. 9


name: 2-thioxo-1H-indole-3-alkanoic acid deriv. 10


name: dithiobis(1H-indole-3-alkanoic acid) deriv. 20


name: dithiobis(1H-indole-3-alkanoic acid) deriv. 21


name: dithiobis(1H-indole-3-alkanoic acid) deriv. 22


name: dithiobis(1H-indole-3-alkanoic acid) deriv. 23


name: dithiobis(1H-indole-3-alkanoic acid) deriv. 25


name: dithiobis(1H-indole-3-alkanoic acid) deriv. 26


name: dithiobis(1H-indole-3-alkanoic acid) deriv. 27


name: dithiobis(1H-indole-3-alkanoic acid) deriv. 28


name: dithiobis(1H-indole-3-alkanoic acid) deriv. 29


name: dithiobis(1H-indole-3-alkanoic acid) deriv. 31


name: dithiobis(1H-indole-3-alkanoic acid) deriv. 32


name: dithiobis(1H-indole-3-alkanoic acid) deriv. 33


name: dithiobis(1H-indole-3-alkanoic acid) deriv. 34


name: dithiobis(1H-indole-3-alkanoic acid) deriv. 35


ellagic acid

An organic heterotetracyclic compound resulting from the formal dimerisation of gallic acid by oxidative aromatic coupling with intramolecular lactonisation of both carboxylic acid groups of the resulting biaryl. It is found in many fruits and vegetables, including raspberries, strawberries, cranberries, and pomegranates.


name: CDK2_HUMAN Cyclin-dependent kinase 2 (sprot)

description: A cyclin-dependent kinase 2 that is encoded in the genome of human.


name: VGFR2_HUMAN Vascular endothelial growth factor receptor 2 (sprot)

description: A vascular endothelial growth factor receptor 2 that is encoded in the genome of human.


AG 490

A monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoic acid with the amino group of benzylamine.


name: benzylidenemalononitrile (BMN) deriv. 33


alpha-CYANO-4-HYDROXYCINNAMIC ACID

A monohydroxycinnamic acid that is 4-hydroxycinnamic acid in which the hydrogen alpha- to the carboxy group is replaced by a cyano group. It is used as a matrix in matrix-assisted laser desorption/ionization (MALDI) mass spectrometry for the analysis of peptides and oligonucleotides.


name: benzylidenemalononitrile (BMN) deriv. 35


name: benzylidenemalononitrile (BMN) deriv. 38


name: benzylidenemalononitrile (BMN) deriv. 40


name: benzylidenemalononitrile (BMN) deriv. 41


para-coumaric acid

The trans-isomer of 4-coumaric acid.


caffeic acid

The trans-isomer of caffeic acid.


dopa

A hydroxyphenylalanine carrying hydroxy substituents at positions 3 and 4 of the benzene ring.


name: benzylidenemalononitrile (BMN) deriv. 65


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

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


name: 4-Phenylamino 3-quinolinecarbonitrile deriv. 26


name: 4-Phenylamino 3-quinolinecarbonitrile deriv. 27


bosutinib

An aminoquinoline that is 4-[(2,4-dichloro-5-methoxyphenyl)amino]-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline bearing additional cyano and methoxy substituents at positions 3 and 6 respectively.


A member of the class of quinazolines that is 4,6-diaminoquinazoine in which the one of the hydrogens attached to the amino group at position 4 has been replaced by a m-bromophenyl group while one of the hydrogens attached to the amino group at position 6 has been replaced by a but-2-ynoyl group.


PD 168393

A member of the class of quinazolines carrying bromoanilino and acrylamido substituents at positions 4 and 6 respectively.


name: ERBB2_HUMAN Receptor tyrosine-protein kinase erbB-2 (sprot)

description: A receptor tyrosine-protein kinase erbB-2 that is encoded in the genome of human.


name: VGFR1_HUMAN Vascular endothelial growth factor receptor 1 (sprot)

description: A vascular endothelial growth factor receptor 1 that is encoded in the genome of human.


vandetanib

A quinazoline that is 7-[(1-methylpiperidin-4-yl)methoxy]quinazoline bearing additional methoxy and 4-bromo-2-fluorophenylamino substituents at positions 6 and 4 respectively. Used for the treatment of symptomatic or progressive medullary thyroid cancer in patients with unresectable locally advanced or metastatic disease.


N-Acetylneuraminic acid reduced across the 2,3-bond with loss of the hydroxy group at C-2; it is a minor component of body fluids although abundant in sialuria.


NRAM_INBLE Neuraminidase (sprot)

A neuraminidase (Influenza B virus) that is encoded in the genome of strain B/Lee/1940.


canertinib

A quinazoline compound having a 3-chloro-4-fluoroanilino group at the 4-position, a propenamido group at the 6-position, and a 3-morpholinopropoxy group at the 7-position.


A member of the class of pyrrolecarboxamides obtained by formal condensation of the carboxy group of 5-[(Z)-(5-chloro-2-oxo-1,2-dihydroindol-3-ylidene)methyl]-2,4-dimethylpyrrole-3-carboxylic acid with the primary amino group of N(1),N(1)-diethylethane-1,2-diamine.


semaxanib

An oxindole that is 3-methyleneoxindole in which one of the hydrogens of the methylene group is replaced by a 3,5-dimethylpyrrol-2-yl group.


vatalanib

A member of the class of phthalazines that is phthalazine in which the hydrogens at positions 1 and 4have been replaced by a p-chlorophenylamino group and a pyridin-4-ylmethyl group, respectively. It is a multi-targeted tyrosine kinase inhibitor for all isoforms of VEGFR, PDGFR and c-Kit.


name: KIT_HUMAN Mast/stem cell growth factor receptor Kit (sprot)

description: A mast/stem cell growth factor receptor that is encoded in the genome of human.


NRAM_I57A5 Neuraminidase (sprot)

A neuraminidase subtype N2 (Influenza A virus) that is encoded in the genome of the H2N2 strain A/Singapore/1/1957.


NRAM_I34A1 Neuraminidase (sprot)

A neuraminidase subtype N1 (Influenza A virus) that is encoded in the genome of the H1N1 strain A/Puerto Rico/8/1934.


OSELTAMIVIR CARBOXYLATE

A cyclohexenecarboxylic acid that is cyclohex-1-ene-1-carboxylic acid which is substituted at positions 3, 4, and 5 by pentan-3-yloxy, acetamido, and amino groups, respectively (the 3R,4R,5S enantiomer). An antiviral drug, it is used as the corresponding ethyl ester prodrug, oseltamivir, to slow the spread of influenza.


peramivir

A member of the class of guanidines that is used (as its trihydrate) for the treatment of acute uncomplicated influenza in patients 18 years and older who have been symptomatic for no more than two days.


oseltamivir

A cyclohexenecarboxylate ester that is the ethyl ester of oseltamivir acid. An antiviral prodrug (it is hydrolysed to the active free carboxylic acid in the liver), it is used to slow the spread of influenza.


name: ZAP70_HUMAN Tyrosine-protein kinase ZAP-70 (sprot)

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


name: KSYK_HUMAN Tyrosine-protein kinase SYK (sprot)

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


name: GRB2_HUMAN Growth factor receptor-bound protein 2 (sprot)

description: A growth factor receptor-bound protein 2 that is encoded in the genome of human.


NRAM_I67A0 Neuraminidase (sprot)

A neuraminidase subtype N2 (Influenza A virus) that is encoded in the genome of the H2N2 strain A/Tokyo/3/1967.


name: US9670136, 15 (R)-1-(4-(((trans)-2-phenylcyclopropyl)amino)cyclohexyl)pyrrolidin-3-amine trihydrochloride


A pyrazolopyrimidine that is pyrazolo[1,5-a]pyrimidine substituted by phenyl and 4-[2-(morpholin-4-yl)ethoxy]phenyl groups at positions 3 and 6, respectively. It is an inhibitor of VEGFR-2 (IC50 = 0.16 muM).


erlotinib

A quinazoline compound having a (3-ethynylphenyl)amino group at the 4-position and two 2-methoxyethoxy groups at the 6- and 7-positions.


gefitinib

A member of the class of quinazolines that is quinazoline which is substituted by a (3-chloro-4-fluorophenyl)nitrilo group, 3-(morpholin-4-yl)propoxy group and a methoxy group at positions 4,6 and 7, respectively. An EGFR kinase inhibitor used for the treatment of non-small cell lung cancer.


name: CDK1_ORYLA Cyclin-dependent kinase 1 (sprot)


name: CDK4_HUMAN Cyclin-dependent kinase 4 (sprot)

description: A cell division protein kinase 4 that is encoded in the genome of human.


alvocidib

A synthetic dihydroxyflavone that is 5,7-dihydroxyflavone which is substituted by a 3-hydroxy-1-methylpiperidin-4-yl group at position 8 and by a chlorine at the 2' position (the (-)-3S,4R stereoisomer). A cyclin-dependent kinase 9 (CDK9) inhibitor, it has been studied for the treatment of acute myeloid leukaemia, arthritis and atherosclerotic plaque formation.


OLOMOUCINE

A 9H-purine that is substituted by a (2-hydroxyethyl)nitrilo, benzylnitrilo and a methyl group at positions 2,6 and 9, respectively. It is a  cyclin-dependent kinase inhibitor.


name: TIE2_HUMAN Angiopoietin-1 receptor (sprot)

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


A secondary carboxamide resulting from the formal condensation of the carboxy group of piperidine-4-carboxylic acid with the amino group of 5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-amine. It is an ATP-competitive inhibitor of CDK2, CDK7 and CDK9 kinases and exhibits anti-cancer properties.


name: ABL1_HUMAN Tyrosine-protein kinase ABL1 (sprot)

description: A tyrosine-protein kinase ABL1 that is encoded in the genome of human.


A member of the class of ureas that is 1-tert-butylurea in which one of the hydrogens attached to N(3) is substituted by a pyrido[2,3-d]pyrimidin-7-yl group, which is itself substituted at positions 2 and 6 by a 4-(diethylamino)butyl]amino group and a 3,5-dimethoxyphenyl group, respectively. It is a FGF/VEGF receptor tyrosine kinase inhibitor.


Src Inhibitor-5

A member of the class of quinazolines that is quinazoline which is substituted at position 4 by a 2-chloro-5-methoxyanilino group, at position 6 by a methoxy group and at position 7 by a 3-(morpholin-4-yl)propoxy group.


name: C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 14


name: C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 15


name: C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 16


name: C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 17


name: C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 22


name: C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 23


name: C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 27


name: C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 28


name: C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 30


name: C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 31


name: C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 32


name: C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 33


name: C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 34


name: C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 35


name: C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 36


name: N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 38


name: N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 39


name: N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 40


name: N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 42


name: N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 43


name: N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 44


name: N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 45


name: N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 46


name: N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 47


name: N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 48


name: N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 49


name: N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 50


name: N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 51


name: N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 52


name: N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 54


name: N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 55


name: N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 56


name: N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 57


name: N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 58


name: N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 59


name: N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 60


name: N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 61


name: N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 62


name: N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 63


name: N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 64


name: N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 65


name: N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 66


name: N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 67


name: N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 68


name: N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 69


name: N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 70


name: N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 71


palbociclib

A member of the class of pyridopyrimidines that is 2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}pyrido[2,3-d]pyrimidin-7-one bearing additional methyl, acetyl and cyclopentyl substituents at positions 5, 6 and 8 respectively. It is used in combination with letrozole for the treatment of metastatic breast cancer.


name: VGFR2_RAT Vascular endothelial growth factor receptor 2 (sprot)

description: A vascular endothelial growth factor receptor 2 that is encoded in the genome of rat.


name: (3-Chlorophenyl){6-[2-((3-hydroxypropyl)amino)oxazol-5-yl]pyrazin-2-yl}carbamic Acid tert-Butyl Ester


name: FGFR2_HUMAN Fibroblast growth factor receptor 2 (sprot)

description: A fibroblast growth factor receptor 2 that is encoded in the genome of human.


INSR_HUMAN Insulin receptor (sprot)

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


name: G1T8E2_RABIT Glycogen synthase kinase-3 beta (trembl)


name: LCK_HUMAN Tyrosine-protein kinase Lck (sprot)

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


name: PDGF receptor tyrosine kinase inhibitor II


name: glycine, N,N-dimethyl-, 2-(1H-indol-2-ylcarbonyl)-1H-indol-5-yl ester


name: acetic acid, methoxy-, 2-(1H-indol-2-ylcarbonyl)-1H-indol-5-yl ester


name: CCND1_HUMAN G1/S-specific cyclin-D1 (sprot)

description: A G1/S-specific cyclin-D1 that is encoded in the genome of human.


triamterene

Pteridine substituted at positions 2, 4 and 7 with amino groups and at position 6 with a phenyl group. A sodium channel blocker, it is used as a diuretic in the treatment of hypertension and oedema.


A organic heterooctacyclic compound that is a potent inhibitor of protein kinase C and is isolated from Nocardiopsis sp K-252a


name: KCC2A_RAT Calcium/calmodulin-dependent protein kinase type II subunit alpha (sprot)

description: A calcium/calmodulin-dependent protein kinase type II subunit alpha that is encoded in the genome of rat.


name: CCND1_MOUSE G1/S-specific cyclin-D1 (sprot)

description: A G1/S-specific cyclin-D1 that is encoded in the genome of mouse.


name: KC1D_RAT Casein kinase I isoform delta (sprot)

description: A casein kinase I isoform delta that is encoded in the genome of rat.


name: MK01_RAT Mitogen-activated protein kinase 1 (sprot)

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


BACE1_HUMAN Beta-secretase 1 (sprot)

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


CATS_HUMAN Cathepsin S (sprot)

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


name: PAK4_HUMAN Serine/threonine-protein kinase PAK 4 (sprot)

description: A serine/threonine-protein kinase PAK 4 that is encoded in the genome of human.


A carboxamide resulting from the formal condensation of the primary amino group of 5-cyclopropyl-1H-pyrazol-3-amine with the carboxy group of (2S)-2-phenylpropanoic acid in which the phenyl ring is substituted at the para position by a 2-oxopyrrolidin-1-yl group. A CDK2 inhibitor with antineoplastic activity.


name: CRFR1_HUMAN Corticotropin-releasing factor receptor 1 (sprot)

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


name: CD5R1_HUMAN Cyclin-dependent kinase 5 activator 1 (sprot)

description: A cyclin-dependent kinase 5 activator 1 that is encoded in the genome of human.


alsterpaullone

An organic heterotetracyclic compound that is 1,3-dihydro-2H-1-benzazepin-2-one which shares its 4-5 bond with the 3-2 bond of 5-nitro-1H-indole.


kenpaullone

An indolobenzazepine that is paullone in which the hydrogen at position 9 is replaced by a bromo substituent. It is an ATP-competitive inhibitor of cyclin-dependent kinases (CDKs) and glycogen synthase kinase 3beta (GSK3beta).


PAULLONE

An indolobenzazepine that is 5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine carrying an oxo substituent at position 6.


name: (E)-3-(6-oxo-9-trifluoromethyl-5,6,7,12-tetrahydro-indolo[3,2-d][1]benzazepin-2-yl)-acrylic acid methyl ester


name: GSK3B_RAT Glycogen synthase kinase-3 beta (sprot)

description: A glycogen synthase kinase-3 beta that is encoded in the genome of rat.


name: DUT_HUMAN Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial (sprot)

description: A deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial that is encoded in the genome of human.


fisetin

A 7-hydroxyflavonol with additional hydroxy groups at positions 3, 3' and 4'.


name: CDK6_HUMAN Cyclin-dependent kinase 6 (sprot)

description: A cyclin-dependent kinase 6 that is encoded in the genome of human.


apigenin

A trihydroxyflavone that is flavone substituted by hydroxy groups at positions 4', 5 and 7.  It induces autophagy in leukaemia cells.


quercetin

A pentahydroxyflavone having the five hydroxy groups placed at the 3-, 3'-, 4'-, 5- and 7-positions. It is one of the most abundant flavonoids in edible vegetables, fruit and wine.


chrysin

A dihydroxyflavone in which the two hydroxy groups are located at positions 5 and 7.


kaempferol

A tetrahydroxyflavone in which the four hydroxy groups are located at positions 3, 5, 7 and 4'. Acting as an antioxidant by reducing oxidative stress, it is currently under consideration as a possible cancer treatment.


luteolin

A tetrahydroxyflavone in which the four hydroxy groups are located at positions 3', 4', 5 and 7. It is thought to play an important role in the human body as an antioxidant, a free radical scavenger, an anti-inflammatory agent and an immune system modulator as well as being active against several cancers.


An organic heterotetracyclic compound that is 7,12-dihydropyrido[3',2':2,3]azepino[4,5-b]indole substituted at positions 6 and 9 by oxo and bromo groups respectively.


seliciclib

2,6-Diaminopurine carrying benzylamino, (2R)-1-hydroxybutan-2-yl and isopropyl substituents at C-6, C-2-N and N-9 respectively. It is an experimental drug candidate in the family of pharmacological cyclin-dependent kinase (CDK) inhibitors.


name: IGF1R_HUMAN Insulin-like growth factor 1 receptor (sprot)

description: An insulin-like growth factor 1 receptor that is encoded in the genome of human.


name: ACACB_HUMAN Acetyl-CoA carboxylase 2 (sprot)

description: An acetyl-CoA carboxylase 2 that is encoded in the genome of human.


name: PRKDC_HUMAN DNA-dependent protein kinase catalytic subunit (sprot)

description: A DNA-dependent protein kinase catalytic subunit that is encoded in the genome of human.


HYEP_MOUSE Epoxide hydrolase 1 (sprot)

An epoxide hydrolase 1 that is encoded in the genome of mouse.


name: US8815951, Epoxide Hydrolase Inhibitor 13


GSK-3beta inhibitor I

A member of the class of thiadiazolidines that is 1,2,4-thiadiazolidine-3,5-dione which is substituted by a methyl group at position 2 and by a benzyl group at position 4. It is a non-ATP competitive inhibitor of glycogen synthase kinase 3beta (GSK3beta). An experimental compound which was being developed for the potential treatment of Alzheimer's disease.


maleimide

A cyclic dicarboximide in which the two carboacyl groups on nitrogen together with the nitogen itself form a 1H-pyrrole-2,5-dione structure.


name: ACM3_HUMAN Muscarinic acetylcholine receptor M3 (sprot)

description: A muscarinic acetylcholine receptor M3 that is encoded in the genome of human.


ESR1_HUMAN Estrogen receptor (sprot)

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


phenacyl bromide

An alpha-bromoketone that is acetophenone substituted by a bromo group at position 2.


IMIDAZOLE

An imidazole tautomer which has the migrating hydrogen at position 1.


name: QPCT_HUMAN Glutaminyl-peptide cyclotransferase (sprot)

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


A 1H-imidazole having a methyl substituent at the N-1 position.


BENZIMIDAZOLE

The 1H-tautomer of benzimidazole.


DRD3_RAT D(3) dopamine receptor (sprot)

A D(3) dopamine receptor that is encoded in the genome of rat.


DRD2_RAT D(2) dopamine receptor (sprot)

A D(2) dopamine receptor that is encoded in the genome of rat.


N-trimethylsilylimidazole

A member of the class of imidazoles in which the hydrogen at position 1 is replaced by a trimethylsilyl group. N-trimethylsilylimidazole is a derivatisation agent used in gas chromatography/mass spectrometry applications.


N-acetylhistamine

A member of the class of acetamides that is acetamide comprising histamine having an acetyl group attached to the side-chain amino function.


HISTIDINOL

An amino alcohol that is propanol substituted by 1H-imidazol-4-yl group at position 3 and an amino group at position 2 (the 2S stereoisomer).


L-histidine

The L-enantiomer of the amino acid histidine.


orazamide

An aminoimidazole in which the amino group is at C-5 with a carboxamido group at C-4.


name: MDM2_HUMAN E3 ubiquitin-protein ligase Mdm2 (sprot)

description: An E3 ubiquitin-protein ligase Mdm2 that is encoded in the genome of human.


A member of the class of benzimidazoles that is benzimidazole in which the hydrogen at position 2 is replaced by an amino group.


histamine

A member of the class of imidazoles that is 1H-imidazole substituted at position C-4 by a 2-aminoethyl group.


mercaptamine

An amine that consists of an ethane skeleton substituted with a thiol group at C-1 and an amino group at C-2.


name: QPCT_MOUSE Glutaminyl-peptide cyclotransferase (sprot)

description: A glutaminyl-peptide cyclotransferase that is encoded in the genome of mouse.


ETHYLENEDIAMINE

An alkane-alpha,omega-diamine in which the alkane is ethane.


MONOETHANOLAMINE

A member of the class of  ethanolamines that is ethane with an amino substituent at C-1 and a hydroxy substituent at C-2, making it both a primary amine and a primary alcohol.


CATD_HUMAN Cathepsin D (sprot)

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


name: BIRC3_HUMAN Baculoviral IAP repeat-containing protein 3 (sprot)

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


CCNH_HUMAN Cyclin-H (sprot)

A cyclin-H that is encoded in the genome of human.


CCNT1_HUMAN Cyclin-T1 (sprot)

A cyclin-T1 that is encoded in the genome of human.


name: 2-anilino-4-(1H-pyrrol-3-yl) pyrimidine deriv. 8b


name: 2-anilino-4-(1H-pyrrol-3-yl) pyrimidine deriv. 8c


name: 2-anilino-4-(1H-pyrrol-3-yl) pyrimidine deriv. 8d


name: 2-anilino-4-(1H-pyrrol-3-yl) pyrimidine deriv. 8e


name: 2-anilino-4-(1H-pyrrol-3-yl) pyrimidine deriv. 8f


name: 2-anilino-4-(1H-pyrrol-3-yl) pyrimidine deriv. 8g


name: 2-anilino-4-(1H-pyrrol-3-yl) pyrimidine deriv. 8h


name: 2-anilino-4-(1H-pyrrol-3-yl) pyrimidine deriv. 8i


name: GSK3B_HUMAN Glycogen synthase kinase-3 beta (sprot)

description: A glycogen synthase kinase-3 beta that is encoded in the genome of human.


A pyrazolopyridazine that is pyrazolo[1,5-b]pyridazine which is substituted by a 2-[3-methoxy-5-(trifluoromethyl)anilino]pyrimidin-4-yl group at position 3 and by a methoxy group at position 6. It is a human GSK-3beta, CDK2, CDK4, CLK1, CLK2, and CLK4 kinase inhibitor.


name: GSK3A_HUMAN Glycogen synthase kinase-3 alpha (sprot)

description: A glycogen synthase kinase-3 alpha that is encoded in the genome of human.


A member of the class of maleimides carrying 3-chloro-4-hydroxyphenylamino and 2-nitrophenyl substituents at positions 3 and 4 respectively.


name: 5HT1A_RAT 5-hydroxytryptamine receptor 1A (sprot)

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


name: 5HT2A_RAT 5-hydroxytryptamine receptor 2A (sprot)

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


LEF_BACAN Lethal factor (sprot)

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


name: Anthrax Lethal Factor Protease Inhibitor III


neomycin

A broad-spectrum highly toxic antibiotic or mixture of antibiotics produced by a streptomyces (Streptomyces fradiae) and used medically especially to treat local infections.


NEAMINE

2-Deoxy-D-streptamine glycosylated at the 4-oxygen with a 6-amino-alpha-D-glucosaminyl group.


name: C11B1_HUMAN Cytochrome P450 11B1, mitochondrial (sprot)

description: A cytochrome P450 11B that is a translation product of the CYP11B1 gene in human.


name: C11B2_HUMAN Cytochrome P450 11B2, mitochondrial (sprot)

description: A cytochrome P450 11B that is a translation product of the CYP11B2 gene in human.


CP19A_HUMAN Aromatase (sprot)

An aromatase that is encoded in the genome of human.


A cis-1-acetyl-4-(4-{[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine which dioxolane moiety has (2R,4S)-configuration.


name: MMEL1_HUMAN Membrane metallo-endopeptidase-like 1 (sprot)

description: A membrane metallo-endopeptidase-like 1 that is encoded in the genome of human.


FA10_HUMAN Coagulation factor X (sprot)

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


rivaroxaban

A monocarboxylic acid amide obtained by formal condensation of the carboxy group of 5-chlorothiophene-2-carboxylic acid with the amino group of 4-{4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}morpholin-3-one. An anticoagulant used for prophylaxis of venous thromboembolism in patients with knee or hip replacement surgery.


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


triclosan

An aromatic ether that is phenol which is substituted at C-5 by a chloro group and at C-2 by a 2,4-dichlorophenoxy group. It is widely used as a preservative and antimicrobial agent in personal care products such as soaps, skin creams, toothpaste and deodorants as well as in household items such as plastic chopping boards, sports equipment and shoes.


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


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

description: An enoyl-[acyl-carrier-protein] reductase [NADH] FabI that is encoded in the genome of Escherichia coli K-12.


name: CP17A_HUMAN Steroid 17-alpha-hydroxylase/17,20 lyase (sprot)

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


ethopropazine

A member of the class of phenothiazines that is phenothiazine in which the hydrogen attached to the nitrogen is substituted by a 2-(diethylamino)propyl group. An antimuscarinic, it is used as the hydrochloride for the symptomatic treatment of Parkinson's disease.


ACES_HUMAN Acetylcholinesterase (sprot)

An acetylcholinesterase that is encoded in the genome of human.


donepezil

A member of the class of indanones that is 5,6-dimethoxyindan-1-one which is substituted at position 2 by an (N-benzylpiperidin-4-yl)methyl group.


tacrine

A member of the class of acridines that is 1,2,3,4-tetrahydroacridine substituted by an amino group at position 9. It is used in the treatment of Alzheimer's disease.


A secondary amino compound consisting of two molecules of tacrine that are linked together through their exocyclic amino groups by a heptane-1,7-diyl chain. Bis(7)-tacrine is an acetylcholinesterase (AChE)inhibitor (IC50 0.40 nM, >1,000 times more potent than tacrine). It has also been found to protect against H2O2 -induced apoptosis in rat pheochromocytoma cells.


ACES_RAT Acetylcholinesterase (sprot)

An acetylcholinesterase that is encoded in the genome of rat.


CHLE_HUMAN Cholinesterase (sprot)

A cholinesterase that is encoded in the genome of human.


name: Carbamic acid, [(1S,2R)-3-[(cyclopentyloxy)[(3-aminophenyl)sulfonyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester


name: Carbamic acid, [(1S,2R)-3-[(cyclopentyloxy)[(4-aminophenyl)sulfonyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester


name: Carbamic acid, [(1S,2R)-3-[(cyclohexyloxy)[(3-aminophenyl)sulfonyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester


name: Carbamic acid, [(1S,2R)-3-[(cyclohexyloxy)[(4-aminophenyl)sulfonyl]amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester


name: Carbamic acid, [(1S,2R)-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)propyl]-, (3S)-tetrahydro-1,1-dioxido-3-thienyl ester


ACES_MOUSE Acetylcholinesterase (sprot)

An acetylcholinesterase that is encoded in the genome of mouse.


aminoglutethimide

A dicarboximide that is a six-membered cyclic compound having ethyl and 4-aminophenyl substituents at the 3-position.


biochanin A

A member of the class of 7-hydroxyisoflavones that is 7-hydroxyisoflavone which is substituted by an additional hydroxy group at position 5 and a methoxy group at position 4'. A phytoestrogen, it has putative benefits in dietary cancer prophylaxis.


name: Tetrahydroisoquinoline-based macrocyclic inhibitor 17


name: Tetrahydroisoquinoline-based macrocyclic inhibitor 18


name: Tetrahydroisoquinoline-based macrocyclic inhibitor 19


name: Tetrahydroisoquinoline-based macrocyclic inhibitor 20


name: Tetrahydroisoquinoline-based macrocyclic inhibitor 21


name: Tetrahydroisoquinoline-based macrocyclic inhibitor 22


name: Tetrahydroisoquinoline-based macrocyclic inhibitor 23


name: PDE9A_RAT High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (sprot)

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


name: {(S)-Hydrazinocarbonyl-[isobutyl-(toluene-4-sulfonyl)-amino]-pentyl}-carbamic acid 9H-fluoren-9-ylmethyl ester


name: OX1R_HUMAN Orexin/Hypocretin receptor type 1 (sprot)

description: An orexin/hypocretin receptor type 1 that is encoded in the genome of human.


name: Depeptidized alpha-ketoamide inhibitor 32


anastrozole

A 1,2,4-triazole compound having a 3,5-bis(2-cyano-2-propyl)benzyl group at the 1-position.


STS_HUMAN Steryl-sulfatase (sprot)

A steryl-sulfatase that is encoded in the genome of human.


name: THAS_HUMAN Thromboxane-A synthase (sprot)

description: A thromboxane-A synthase that is encoded in the genome of human.


name: (S)-1-(2,3-Dioxo-2,3-dihydro-1H-indole-5-sulfonyl)-pyrrolidine-2-carboxylic acid methyl ester


CASP9_HUMAN Caspase-9 (sprot)

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


name: Acetic acid (S)-4-[2,3-dioxo-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-2,3-dihydroindol-1-yl-methyl]phenyl ester


name: acetic acid 2-[4-methyl-8-(4-morpholinylsulfonyl)-1,3-dioxo-2-pyrrolo[3,4-c]quinolinyl]ethyl ester


galantamine

A benzazepine alkaloid isolated from certain species of daffodils.


ACES_TETCF Acetylcholinesterase (sprot)

An acetylcholinesterase that is encoded in the genome of Tetronarce californica.


name: PYRD_HUMAN Dihydroorotate dehydrogenase (quinone), mitochondrial (sprot)

description: A dihydroorotate dehydrogenase (quinone), mitochondrial that is encoded in the genome of human.


name: AKT1_HUMAN RAC-alpha serine/threonine-protein kinase (sprot)

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


name: PDE2A_HUMAN cGMP-dependent 3',5'-cyclic phosphodiesterase (sprot)

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


name: FGFR3_HUMAN Fibroblast growth factor receptor 3 (sprot)

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


name: N-methylcarbamic acid [(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] ester


rivastigmine

A carbamate ester obtained by formal condensation of the carboxy group of ethyl(methyl)carbamic acid with the phenolic OH group of 3-[(1S)-1-(dimethylamino)ethyl]phenol. A reversible cholinesterase inhibitor.


name: Pyrrolo[2,3-b]indol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, 5-(N-phenylcarbamate), (3aS,8aR)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1);Pyrrolo[2,3-b]indol-5-ol, 1,2,3,3a,8,8a-hexahydro-1,3a,8-trimethyl-, 5-(N-phenylcarbamate), (3aS,8aR)-, (2R,3R)-2,3-dihydroxybutanedioate (1:1)


bohemine

Purine substituted on C-2, C-6 and N-9 with (3-hydroxypropyl)amino, benzylamino and isopropyl groups respectively; a synthetic, cell-permeable, cyclin-dependent kinase (CDK) inhibitor that is structurally similar to olomoucine and roscovitine.


name: (3R)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-5-yl N,N-dimethylcarbamate; methanesulfonic acid


name: (3S)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-5-yl N,N-dimethylcarbamate; methanesulfonic acid


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

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


name: 3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-5-yl N,N-dimethylcarbamate; methanesulfonic acid


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

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


name: 3-{2-[methyl(prop-2-yn-1-yl)amino]propyl}phenyl N-cyclohexyl-N-methylcarbamate; methanesulfonic acid


name: 3-[(2R)-2-[methyl(prop-2-yn-1-yl)amino]propyl]phenyl N-cyclohexyl-N-methylcarbamate; methanesulfonic acid


name: 3-[(2S)-2-[methyl(prop-2-yn-1-yl)amino]propyl]phenyl N-cyclohexyl-N-methylcarbamate; methanesulfonic acid


name: KC1A_RAT Casein kinase I isoform alpha (sprot)

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


theophylline

A dimethylxanthine having the two methyl groups located at positions 1 and 3. It is structurally similar to caffeine and is found in green and black tea.


caffeine

A trimethylxanthine in which the three methyl groups are located at positions 1, 3, and 7. A purine alkaloid that occurs naturally in tea and coffee.


name: PDE4A_HUMAN 3',5'-cyclic-AMP phosphodiesterase 4A (sprot)

description: A 3',5'-cyclic-AMP phosphodiesterase 4A that is encoded in the genome of human.


CHIT1_HUMAN Chitotriosidase-1 (sprot)

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


CAH1_HUMAN Carbonic anhydrase 1 (sprot)

A vertebrate-type carbonic anhydrase 1 that is encoded in the genome of human.


sulfanilamide

A sulfonamide in which the sulfamoyl functional group is attached to aniline at the 4-position.


P-TOLUENESULFONAMIDE

A sulfonamide that is benzenesulfonamide bearing a methyl group at position 4.


ethoxzolamide

A sulfonamide that is 1,3-benzothiazole-2-sulfonamide which is substituted by an ethoxy group at position 6. A carbonic anhydrase inhibitor, it has been used in the treatment of glaucoma, and as a diuretic.


diclofenamide

A sulfonamide that is benzene-1,3-disulfonamide in which the hydrogens at positions 4 and 5 are substituted by chlorine. An oral carbonic anhydrase inhibitor, it partially suppresses the secretion (inflow) of aqueous humor in the eye and so reduces intraocular pressure. It is used for the treatment of glaucoma.


dorzolamide

5,6-Dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide in which hydrogens at the 4 and 6 positions are substituted by ethylamino and methyl groups, respectively (4S, trans-configuration). A carbonic anhydrase inhibitor, it is used as the hydrochloride in ophthalmic solutions to lower increased intraocular pressure in the treatment of open-angle glaucoma and ocular hypertension.


topiramate

A hexose derivative that is 2,3:4,5-di-O-isopropylidene-beta-D-fructopyranose in which the hydroxy group has been converted to the corresponding sulfamate ester. It blocks voltage-dependent sodium channels and is used as an antiepileptic and for the prevention of migraine.


zonisamide

A 1,2-benzoxazole compound having a sulfamoylmethyl substituent at the 3-position.


indisulam

A chloroindole that is 3-chloro-1H-indole substituted by a [(4-sulfamoylphenyl)sulfonyl]nitrilo group at position 7. It is a carbonic anhydrase inhibitor and a potential anti-cancer agent currently in clinical development.


CAH2_HUMAN Carbonic anhydrase 2 (sprot)

A vertebrate-type carbonic anhydrase 2 that is encoded in the genome of human.


name: MK01_HUMAN Mitogen-activated protein kinase 1 (sprot)

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


name: DYR1A_HUMAN Dual specificity tyrosine-phosphorylation-regulated kinase 1A (sprot)

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


rasagiline

An indane that consists of 1-aminoindane bearing an N-propargyl substituent. A selective, irreversible monoamine oxidase-B inhibitor.


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

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


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

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


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

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


FARNESOL

The (2-trans,6-trans)-stereoisomer of  farnesol.


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

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


ISATIN

An indoledione that is the 2,3-diketo derivative of indole.


name: CAH5A_HUMAN Carbonic anhydrase 5A, mitochondrial (sprot)

description: A carbonic anhydrase 5A, mitochondrial that is encoded in the genome of human.


name: CAH5B_HUMAN Carbonic anhydrase 5B, mitochondrial (sprot)

description: A carbonic anhydrase 5B, mitochondrial that is encoded in the genome of human.


CAH9_HUMAN Carbonic anhydrase 9 (sprot)

A carbonic anhydrase 9 that is encoded in the genome of human.


name: DPP4_HUMAN Dipeptidyl peptidase 4 (sprot)

description: A dipeptidyl peptidase 4 that is encoded in the genome of human.


name: Biarylphenylalanine (S)-Fluoropyrrolidide Amide 22


name: Biarylphenylalanine (S)-Fluoropyrrolidide Amide 26


name: DPP2_HUMAN Dipeptidyl peptidase 2 (sprot)

description: A dipeptidyl peptidase 2 that is encoded in the genome of human.


name: DPP9_HUMAN Dipeptidyl peptidase 9 (sprot)

description: A dipeptidyl peptidase 9 that is encoded in the genome of human.


sitagliptin

A  triazolopyrazine that exhibits  hypoglycemic activity.


name: DPP8_HUMAN Dipeptidyl peptidase 8 (sprot)

description: A dipeptidyl peptidase 8 that is encoded in the genome of human.


name: beta-Substituted phenylalanine deriv. 34


name: R1AB_SARS Replicase polyprotein 1ab (sprot)


niclosamide

A secondary carboxamide resulting from the formal condensation of the carboxy group of 5-chlorosalicylic acid with the amino group of 2-chloro-4-nitroaniline. It is an oral anthelmintic drug approved for use against tapeworm infections.


name: CSK2A_MAIZE Casein kinase II subunit alpha (sprot)

description: A protein that is a translation product of the ACK2 gene in maize.


A member of the class of xanthones that is xanthen-9-one substituted at position 4 by a nitro group and at positions 1 and 8 by hydroxy groups.


EMODIN

A trihydroxyanthraquinone that is 9,10-anthraquinone which is substituted by hydroxy groups at positions 1, 3, and 8 and by a methyl group at position 6. It is present in the roots and barks of numerous plants (particularly rhubarb and buckthorn), moulds, and lichens. It is an active ingredient of various Chinese herbs.


name: CSK21_HUMAN Casein kinase II subunit alpha (sprot)

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


CAH4_BOVIN Carbonic anhydrase 4 (sprot)

A carbonic anhydrase 4 that is encoded in the genome of cow.


name: 5HT2A_HUMAN 5-hydroxytryptamine receptor 2A (sprot)

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


CAH4_HUMAN Carbonic anhydrase 4 (sprot)

A carbonic anhydrase 4 that is encoded in the genome of human.


name: MMP1_HUMAN Interstitial collagenase (sprot)

description: An interstitial collagenase that is encoded in the genome of human.


name: MMP2_HUMAN 72 kDa type IV collagenase (sprot)

description: A 72 kDa type IV collagenase that is encoded in the genome of human.


name: MMP8_HUMAN Neutrophil collagenase (sprot)

description: A neutrophil collagenase that is encoded in the genome of human.


name: MMP9_HUMAN Matrix metalloproteinase-9 (sprot)

description: A matrix metalloproteinase-9 that is encoded in the genome of human.


name: 5HT2C_HUMAN 5-hydroxytryptamine receptor 2C (sprot)

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


saxagliptin

A monocarboxylic acid amide obtained by formal condensation of the carboxy group of (2S)-amino(3-hydroxyadamantan-1-yl)acetic acid with the amino group of (1S,3S,5S)-2-azabicyclo[3.1.0]hexane-3-carbonitrile. Used in its monohydrate form for the treatment of Type II diabetes.


MMP13_HUMAN Collagenase 3 (sprot)

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


DPP4_PIG Dipeptidyl peptidase 4 (sprot)

A dipeptidyl peptidase 4 that is encoded in the genome of pig.


sulpiride

A member of the class of benzamides obtained from formal condensation between the carboxy group of 2-methoxy-5-sulfamoylbenzoic acid and the primary amino group of (1-ethylpyrrolidin-2-yl)methylamine.


celecoxib

A member of the class of pyrazoles that is 1H-pyrazole which is substituted at positions 1, 3 and 5 by 4-sulfamoylphenyl, trifluoromethyl and p-tolyl groups, respectively. A cyclooxygenase-2 inhibitor, it is used in the treatment of arthritis.


DPP4_RAT Dipeptidyl peptidase 4 (sprot)

A dipeptidyl peptidase 4 that is encoded in the genome of rat.


An N-acylpyrrolidine that is the pyrrolidine amide of (2S,3S)-2-amino-3-{3-[4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}butanoic acid.


name: (4R)-4-(2-Fluoro-6-hydroxy-3-methoxy-benzoyl)-benzoic acid (3R)-3-[(pyridine-4-carbonyl)amino]-azepan-4-YL ester


MMP3_HUMAN Stromelysin-1 (sprot)

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


A secondary carboxamide resulting from the formal condensation of the carboxy group of 4-sulfamoylbenzoic acid with the amino group of 1-phenylmethanamine. It is a potent inhibitor of carbonic anhydrase II.


CCNA2_HUMAN Cyclin-A2 (sprot)

A cyclin-A2 that is encoded in the genome of human.


AURKA_HUMAN Aurora kinase A (sprot)

An aurora kinase A that is encoded in the genome of human.


name: CHK1_HUMAN Serine/threonine-protein kinase Chk1 (sprot)

description: A serine/threonine-protein kinase Chk1 that is encoded in the genome of human.


name: 2-aminosulfonyl-benzoic acid methyl ester

description: A benzoate ester that is methyl benzoate substituted by a sulfamoyl group at position 2. It is a metabolite of the herbicide metsulfuron-methyl.


name: SEPR_HUMAN Prolyl endopeptidase FAP (sprot)

description: A prolyl endopeptidase FAP that is encoded in the genome of human.


lopinavir

A dicarboxylic acid diamide that is amphetamine is substituted on nitrogen by a (2,6-dimethylphenoxy)acetyl group and on the carbon alpha- to nitrogen by a (1S,3S)-1-hydroxy-3-{[(2S)-3-methyl-2-(2-oxotetrahydropyrimidin-1-yl)butanoyl]amino}-4-phenylbutyl group. An antiretroviral of the protease inhibitor class, it is used against HIV infections as a fixed-dose combination with another protease inhibitor, ritonavir.


name: 2,5-Dibenzyloxy-3,4-dihydroxy-hexanedioic acid benzylamide (2-hydroxy-indan-1-YL)-amide


name: 2,5-Dibenzyloxy-3,4-dihydroxy-hexanedioic acid 2-chloro-6-fluoro-benzylamide (2-hydroxy-indan-1-YL)-amide


saracatinib

A member of the class of quinazolines that is quinazoline substituted by (5-chloro-2H-1,3-benzodioxol-4-yl)amino, (oxan-4-yl)oxy and 2-(4-methylpiperazin-1-yl)ethoxy groups at positions 4, 5 and 7, respectively. It is a dual inhibitor of the tyrosine kinases c-Src and Abl (IC50 = 2.7 and 30 nM, respectively). Saracatinib was originally developed by AstraZeneca for the treatment of cancer but in 2019 it was granted orphan drug designation by the US Food and Drug Administration for the treatment of idiopathic pulmonary fibrosis (IPF), a type of lung disease that results in scarring (fibrosis) of the lungs.


name: SC6A4_HUMAN Sodium-dependent serotonin transporter (sprot)

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


boceprevir

A synthetic tripeptide consisting of N-(tert-butylcarbamoyl)-3-methyl-L-valyl, a cyclopropyl-fused prolyl and 3-amino-4-cyclobutyl-2-oxobutanamide residues joined in sequence. Used for treatment of chronic hepatitis C virus genotype 1 infection.


CP2A6_HUMAN Cytochrome P450 2A6 (sprot)

A cytochrome P450 2A that is a translation product of the CYP2A6 gene in human.


compound 39a [PMID: 15634016]

A member of the class of furans that is furan which is substituted by aminomethyl and pyridy-3-yl groups at positions 2 and 5 respectively.


CP3A4_HUMAN Cytochrome P450 3A4 (sprot)

A cytochrome P450 3A4 that is encoded in the genome of human.


A member of the class of quinazolines that is quinazoline which is substituted at positions 4, 6 and 7 by a (4-benzamidophenyl)nitrilo group, methoxy group and a 3-(morpholin-4-yl)propoxy group, respectively. It is an ATP-competitive inhibitor of Aurora A and Aurora B kinases with IC50 of 110 nM and 130 nM, respectively.


THRB_HUMAN Prothrombin (sprot)

A prothrombin that is encoded in the genome of human.


proflavine

An aminoacridine that is acridine that is substituted by amino groups at positions 3 and 6. A slow-acting bacteriostat that is effective against many Gram-positive bacteria (but ineffective against spores), its salts were formerly used for treatment of burns and infected wounds.


A carboxamidinium ion obtained by protonation of  the amidino group of benzamidine. Major species at pH 7.3.


name: 3-[(3'-Aminomethyl-biphenyl-4-carbonyl)-amino]-2-(3-carbamimidoyl-benzyl)-butyric acid methyl ester


TRY1_BOVIN Serine protease 1 (sprot)

A protein that is a translation product of any of the following genes in cow: PRSS1/LOC780933.


name: 4-[4-Amino-5-(2-methoxybenzoyl)pyrimidin-2-ylamino]piperidine-1-carboxylic Acid Ethyl Ester


name: 4-[4-Amino-5-(2-fluorobenzoyl)pyrimidin-2-ylamino]piperidine-1-carboxylic acid ethyl ester


name: 4-[4-Amino-5-(2-methylbenzoyl)pyrimidin-2-ylamino]piperidine-1-carboxylic Acid Ethyl Ester


KLKB1_HUMAN Plasma kallikrein (sprot)

A plasma kallikrein that is encoded in the genome of human.


FA9_HUMAN Coagulation factor IX (sprot)

A coagulation factor IX that is encoded in the genome of human.


name: PIM1_HUMAN Serine/threonine-protein kinase pim-1 (sprot)

description: A proto-oncogene serine/threonine-protein kinase Pim-1 that is encoded in the genome of human.


LY 294002

A chromone substituted with a phenyl group at position 8 and a morpholine group at position 2.


name: FA11_HUMAN Coagulation factor XI (sprot)

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


AURKB_HUMAN Aurora kinase B (sprot)

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


A 1,2,3,4-tetrahydroisoquinoline hacing chloro substituents at the 7- and 8-positions.


name: PNMT_HUMAN Phenylethanolamine N-methyltransferase (sprot)

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


name: Sulfamic acid 2,3-o-(1-methylethylidene)-4,5-o-sulfonyl-beta-fructopyranose ester


CAH7_HUMAN Carbonic anhydrase 7 (sprot)

A carbonic anhydrase 7 that is encoded in the genome of human.


name: CAH12_HUMAN Carbonic anhydrase 12 (sprot)

description: A carbonic anhydrase 12 that is encoded in the genome of human.


name: CAH13_MOUSE Carbonic anhydrase 13 (sprot)

description: A carbonic anhydrase 13 that is encoded in the genome of mouse.


name: CAH14_HUMAN Carbonic anhydrase 14 (sprot)

description: A carbonic anhydrase 14 that is encoded in the genome of human.


valdecoxib

A member of the class of isoxazoles that is isoxazole which is substituted at positions 3, 4 and 5 by phenyl, p-sulfamoylphenyl and methyl groups, respectively. A selective cyclooxygenase 2-inhibitor, it used as a nonsteroidal anti-inflammatory drug (NSAID) for the treatment of arthritis from 2001 until 2005, when it was withdrawn following concerns of an associated increased risk of heart attack and stroke.


hydrochlorothiazide

A benzothiadiazine that is 3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide substituted by a chloro group at position 6 and a sulfonamide at 7. It is diuretic used for the treatment of hypertension and congestive heart failure.


name: XIAP_HUMAN E3 ubiquitin-protein ligase XIAP (sprot)

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


dasatinib

An aminopyrimidine that is 2-methylpyrimidine which is substituted at position 4 by the primary amino group of 2-amino-1,3-thiazole-5-carboxylic acid and at position 6 by a 4-(2-hydroxyethyl)piperazin-1-yl group, and in which the carboxylic acid group has been formally condensed with 2-chloro-6-methylaniline to afford the corresponding amide. A multi-targeted kinase inhibitor, it is used, particularly as the monohydrate, for the treatment of chronic, accelerated, or myeloid or lymphoid blast phase chronic myeloid leukemia. Note that the name 'dasatinib' is used to refer to the monohydrate (USAN) as well as to anhydrous dasatinib (INN).


name: LCK_MOUSE Proto-oncogene tyrosine-protein kinase LCK (sprot)

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


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

description: A protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha that is encoded in the genome of rat.


name: tetrahydroquinoline (THQ)-based inhibitor 4m


A member of the class of imidazoles carrying 4-methylsulfinylphenyl, 4-pyridyl and 4-fluorophenyl substituents at positions 2, 4 and 5 respectively. An inhibitor of mitogen-activated protein kinase.


name: MK14_HUMAN Mitogen-activated protein kinase 14 (sprot)

description: A mitogen-activated protein kinase 14 that is encoded in the genome of human.


A member of the class of benzamides obtained by formal condensation of the carboxy group of 3-fluoro-5-morpholin-4-ylbenzoic acid with the amino group of 1-[2-(pyridin-4-yl)ethyl]indol-6-amine


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

description: A protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha that is encoded in the genome of cow.


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

description: A protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha that is encoded in the genome of human.


name: PGTB1_BOVIN Geranylgeranyl transferase type-1 subunit beta (sprot)

description: A geranylgeranyl transferase type-1 subunit beta that is encoded in the genome of cow.


name: PTN1_HUMAN Tyrosine-protein phosphatase non-receptor type 1 (sprot)

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


name: 3(S)-Methylcarbamoyl-7-sulfoamino-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester


name: Difluoromethylphosphonic acid (DFMP) deriv. 7


name: Difluoromethylphosphonic acid (DFMP) deriv. 8


name: Difluoromethylphosphonic acid (DFMP) deriv. 9


name: Difluoromethylphosphonic acid (DFMP) deriv. 10


A substituted L-phenylalanyl-L-phenylalaninamide dipeptide. It is a potent inhibitor of protein tyrosine phosphatase.


imatinib

A benzamide obtained by formal condensation of the carboxy group of 4-[(4-methylpiperazin-1-yl)methyl]benzoic acid with the primary aromatic amino group of 4-methyl-N(3)-[4-(pyridin-3-yl)pyrimidin-2-yl]benzene-1,3-diamine. Used (as its mesylate salt) for treatment of chronic myelogenous leukemia and gastrointestinal stromal tumours.


doramapimod

A member of the class of pyrazoles that is an immunomodulator used for treatment of rheumatoid arthritis, Crohn's disease and psoriasis.


TANDUTINIB

An N-arylpiperazine that is piperazine in which the hydrogen attached to the nitrogen at position 1 is replaced by a 6-methoxy-7-[3-(piperidin-1-yl)propoxy]quinazolin-4-yl group, while the hydrogen attached to the nitrogen at position 4 is replaced by a (p-isopropoxyphenyl)aminocarbonyl group. Tandutinib is an inhibitor of tyrosine kinases FLT3, PDGFR and KIT.


AURKC_HUMAN Aurora kinase C (sprot)

An aurora kinase C that is encoded in the genome of human.


name: FA7_HUMAN Coagulation factor VII (sprot)

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


name: PTN2_HUMAN Tyrosine-protein phosphatase non-receptor type 2 (sprot)

description: A tyrosine-protein phosphatase non-receptor type 2 that is encoded in the genome of human.


name: PTN1_RAT Tyrosine-protein phosphatase non-receptor type 1 (sprot)

description: A tyrosine-protein phosphatase non-receptor type 1 that is encoded in the genome of rat.


name: DHI2_HUMAN 11-beta-hydroxysteroid dehydrogenase type 2 (sprot)

description: An 11-beta-hydroxysteroid dehydrogenase type 2 that is encoded in the genome of human.


name: DHI2_MOUSE 11-beta-hydroxysteroid dehydrogenase type 2 (sprot)

description: An 11-beta-hydroxysteroid dehydrogenase type 2 that is encoded in the genome of mouse.


name: 4-[[1-(Phenylmethyl)-1h-indazol-5-yl]amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid ethyl ester


An N,N-disubstituted toluene-p-sulfonamaide, with a structure close to that of darunavir. It is found to inhibit dimerization of HIV-1 protease subunits.


name: Carbamic acid, [(1S,2R)-2-hydroxy-3-[[[4-(hydroxymethyl)phenyl]sulfonyl](2-methylpropyl)amino]-1-(phenylmethyl)propyl]-, (3aR,6aS)-octahydro-2-pentalenyl ester


atazanavir

A heavily substituted carbohydrazide that is an antiretroviral drug of the protease inhibitor (PI) class used to treat infection of human immunodeficiency virus (HIV).


POL_HV1U4 Gag-Pol polyprotein (sprot)

A lentivirus-type gag-pol polyprotein that is encoded in the genome of Human immunodeficiency virus type 1 group M subtype A (isolate U455).


POL_HV1RH Gag-Pol polyprotein (sprot)

A lentivirus-type gag-pol polyprotein that is encoded in the genome of Human immunodeficiency virus type 1 group M subtype B (isolate RF/HAT3).


name: UROK_HUMAN Urokinase-type plasminogen activator (sprot)

description: A urokinase-type plasminogen activator that is encoded in the genome of human.


name: Oxalyl-aryl-amino benzoic acid-based inhibitor 2


fasudil

An isoquinoline substituted by a (1,4-diazepan-1-yl)sulfonyl group at position 5. It is a Rho-kinase inhibitor and its hydrochloride hydrate form is approved for the treatment of cerebral vasospasm and cerebral ischemia.


A member of the class of isoquinolines that is the sulfonamide formed by the formal condensation of the sulfo group of 4-methylisoquinoline-5-sulfonic acid with the 1-amino group of (S)-2-methyl-1,4-diazepane.


KT 5720

An organic heterooctacyclic compound that is 1H,1'H-2,2'-biindole in which the nitrogens have undergone formal oxidative coupling to positions 2 and 5 of hexyl (3S)-3-hydroxy-2-methyltetrahydrofuran-3-carboxylate (the 2R,3S,5S product), and in which the 3 and 3' positions of the biindole moiety have also undergone formal oxidative coupling to positions 3 and 4 of 1,5-dihydro-2H-pyrrol-2-one.


name: ROCK2_BOVIN Rho-associated protein kinase 2 (sprot)


name: ROCK1_HUMAN Rho-associated protein kinase 1 (sprot)

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


name: KAPCA_MOUSE cAMP-dependent protein kinase catalytic subunit alpha (sprot)

description: A cAMP-dependent protein kinase catalytic subunit alpha that is encoded in the genome of mouse.


name: PNMT_BOVIN Phenylethanolamine N-methyltransferase (sprot)


name: ADA2A_RAT Alpha-2A adrenergic receptor (sprot)

description: An alpha-2A adrenergic receptor that is encoded in the genome of rat.


PLMN_HUMAN Plasminogen (sprot)

A plasminogen that is encoded in the genome of human.


name: TPA_HUMAN Tissue-type plasminogen activator (sprot)

description: A tissue-type plasminogen activator that is encoded in the genome of human.


TRYB2_HUMAN Tryptase beta-2 (sprot)

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


name: M3K9_HUMAN Mitogen-activated protein kinase kinase kinase 9 (sprot)

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


name: M3K11_HUMAN Mitogen-activated protein kinase kinase kinase 11 (sprot)

description: A mitogen-activated protein kinase kinase kinase 11 that is encoded in the genome of human.


name: M3K10_HUMAN Mitogen-activated protein kinase kinase kinase 10 (sprot)

description: A mitogen-activated protein kinase kinase kinase 10 that is encoded in the genome of human.


AURKA_MOUSE Aurora kinase A (sprot)

An aurora kinase A that is encoded in the genome of mouse.


TRY1_HUMAN Serine protease 1 (sprot)

A serine protease 1 that is encoded in the genome of human.


name: PDE4B_HUMAN 3',5'-cyclic-AMP phosphodiesterase 4B (sprot)

description: A 3',5'-cyclic-AMP phosphodiesterase 4B that is encoded in the genome of human.


name: PDE4C_HUMAN 3',5'-cyclic-AMP phosphodiesterase 4C (sprot)

description: A 3',5'-cyclic-AMP phosphodiesterase 4C that is encoded in the genome of human.


name: PDE4D_HUMAN 3',5'-cyclic-AMP phosphodiesterase 4D (sprot)

description: A 3',5'-cyclic-AMP phosphodiesterase 4D that is encoded in the genome of human.


ROLIPRAM

A member of the lclass of pyrrolidin-2-ones that is pyrrolidin-2-one bearing a 3-(cyclopentyloxy)-4-methoxyphenyl substituent at the 4-position.  It is a type IV-specific phosphodiesterase (PDE4) inhibitor.


name: PDE5A_HUMAN cGMP-specific 3',5'-cyclic phosphodiesterase (sprot)

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


A benzocycloheptapyridine that is benzo[5,6]cyclohepta[1,2-b]pyridine which is substituted at positions 3 and 10 by bromines, at position 8 by chlorine, and at position 11 by an N-acetylpiperidin-4-yl group in which one of the hydrogens of the acetyl moiety has been replaced by a 1-carbamoylpiperidin-4-yl group.


lonafarnib

A 4-{2-[4-(3,10-dibromo-8-chloro-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-yl)piperidin-1-yl]-2-oxoethyl}piperidine-1-carboxamide that has R configuration. It is used as oral farnesyltransferase inhibitor.


name: HEPS_HUMAN Serine protease hepsin (sprot)

description: A serine protease hepsin that is encoded in the genome of human.


ADK_RAT Adenosine kinase (sprot)

An adenosine kinase that is encoded in the genome of rat.


PHENYL DIHYDROGEN PHOSPHATE

An aryl phosphate resulting from the mono-esterification of phosphoric acid with phenol.


alpha-sulfophenylacetic acid

An member of the class of phenylacetic acids that is phenylacetic acid in which one of the hydrogens alpha- to the carboxy group has been replaced by a sulfo group.


name: Cyclohexylmethyl 2-formylphenyl hydrogen phosphate


name: PYRD_PLAF7 Dihydroorotate dehydrogenase (quinone), mitochondrial (sprot)


name: 2-(p-Tolylamino-methylene)-malonic acid diethyl ester


name: 2-(o-Tolylamino-methylene)-malonic acid diethyl ester


name: PROC_HUMAN Vitamin K-dependent protein C (sprot)

description: A vitamin K-dependent protein C that is encoded in the genome of human.


name: CNR2_HUMAN Cannabinoid receptor 2 (sprot)

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


CNR2_RAT Cannabinoid receptor 2 (sprot)

A cannabinoid receptor 2 that is encoded in the genome of rat.


name: PDE10_RAT cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (sprot)

description: A cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A that is encoded in the genome of rat.


papaverine

A benzylisoquinoline alkaloid that is isoquinoline substituted by methoxy groups at positions 6 and 7 and a 3,4-dimethoxybenzyl group at position 1. It has been isolated from Papaver somniferum.


name: PDE3A_HUMAN cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A (sprot)

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


name: PDE3B_HUMAN cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B (sprot)

description: A cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B that is encoded in the genome of human.


name: AA2AR_RAT Adenosine receptor A2a (sprot)

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


name: PDE1B_HUMAN Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B (sprot)

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


piclamilast

A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of 3-(cyclopentyloxy)-4-methoxybenzoic acid with the primary amino group of 3,5-dichloropyridin-4-amine.


tadalafil

A pyrazinopyridoindole that is 2,3,6,7,12,12a-hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione substituted at position 2 by a methyl group and at position 6 by a 1,3-benzodioxol-5-yl group (the 6R,12aR-diastereomer). A phosphodiesterase V inhibitor inhibitor, currently marketed in pill form for treating erectile dysfunction under the name Cialis; and under the name Adcirca for the treatment of pulmonary arterial hypertension.


ZARDAVERINE

A pyridazinone derivative in which pyridazin-3(2H)-one is substituted at C-6 with a 4-(difluoromethoxy)-3-methoxyphenyl group.  It is a phosphodiesterase inhibitor, selective for PDE3 and 4.


roflumilast

A benzamide obtained by formal condensation of the carboxy group of 3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoic acid with the amino group of 3,5-dichloropyridin-4-amine. Used for treatment of bronchial asthma and chronic obstructive pulmonary disease.


name: PDE7B_HUMAN 3',5'-cyclic-AMP phosphodiesterase 7B (sprot)

description: A 3',5'-cyclic-AMP phosphodiesterase 7B that is encoded in the genome of human.


name: PDE8A_HUMAN High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A (sprot)

description: A high affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A that is encoded in the genome of human.


name: PDE9A_HUMAN High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (sprot)

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


name: PDE10_HUMAN cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (sprot)

description: A cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A that is encoded in the genome of human.


name: PDE11_HUMAN Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A (sprot)

description: A dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A that is encoded in the genome of human.


name: 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester


name: 1-(2-Chlorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid ethyl ester


name: 3,5-Dimethyl-1-(3-nitrophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester


A member of the class of phenylureas that is urea which is substituted at position 1 by a 3-tert-butyl-1-methylpyrazol-5-yl group and at position 3 by a p-chlorophenyl group.


name: MK14_MOUSE Mitogen-activated protein kinase 14 (sprot)

description: A mitogen-activated protein kinase 14 that is encoded in the genome of mouse.


name: 1H-Pyrrole-2,4-dicarboxylic acid, 3-ethyl-5-formyl-, diethyl ester


name: AKT2_HUMAN RAC-beta serine/threonine-protein kinase (sprot)

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


name: AKT3_HUMAN RAC-gamma serine/threonine-protein kinase (sprot)

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


A N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide in which the double bond adopts a trans-configuration.


name: P85A_HUMAN Phosphatidylinositol 3-kinase regulatory subunit alpha (sprot)

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


name: PK3CG_HUMAN Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (sprot)

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


myricetin

A hexahydroxyflavone that is flavone substituted by hydroxy groups at positions 3, 3', 4', 5, 5' and 7. It has been isolated from the leaves of Myrica rubra and other plants.


Am member of the class of imidazoles carrying piperidin-4-yl, 4-fluophenyl and 2-aminopyrimidin-4-yl substituents at posiitons 1, 4 and 5 respectively.


neflamapimod

A member of the class of pyrimidopyridazines that is 6H-pyrimido[1,6-b]pyridazin-6-one substituted at positions 2 and 5 by (2,4-difluorophenyl)sulfanyl and 2,6-dichlorophenyl groups respectively


milrinone

A member of the class of bipyridines that is 2-pyridone which is substituted at positions 3, 5, and 6 by cyano, pyrid-4-yl, and methyl groups, respectively. It is used (particularly intravenously, as the lactate) for the short-term management of severe heart failure.


brequinar

A quinolinemonocarboxylic acid that is quinoline substituted by 2'-fluoro[1,1'-biphenyl]-4-yl, methyl, carboxy and fluoro groups at positions 2, 3, 4, and 6, respectively. It is an inhibitor of dihydroorotate dehydrogenase, an enzyme that is required for de novo pyrimidine biosynthesis. The compound exhibits antineoplastic and antiviral properties.


name: HS90B_HUMAN Heat shock protein HSP 90-beta (sprot)

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


RADICICOL

An antifungal macrolactone antibiotic, obtained from Diheterospora chlamydosporia and Chaetomium chiversii that inhibits protein tyrosine kinase and heat shock protein 90 (Hsp90).


name: HSP82_YEAST ATP-dependent molecular chaperone HSP82 (sprot)

description: A protein that is a translation product of the HSP82 gene in yeast.


A member of the class of 6-aminopurines that is 2-fluoroadenine carrying additional 2-chloro-3,4,5-trimethoxybenzyl and pent-4-yn-1-yl substituents at positions 8 and 9 respectively.


clorgiline

An aromatic ether that is the 2,4-dichlorophenyl ether of 3-aminopropan-1-ol in which the nitrogen is substituted by a methyl group and a prop-1-yn-3-yl group. A monoamine oxidase inhibitor, it was formerly used as an antidepressant.


moclobemide

A member of the class of  benzamides that is benzamide substituted by a chloro group at position 4 and a 2-(morpholin-4-yl)ethyl group at the nitrogen atom. It acts as a reversible monoamine oxidase inhibitor and is used in the treatment of depression.


name: MK10_HUMAN Mitogen-activated protein kinase 10 (sprot)

description: A mitogen-activated protein kinase 10 that is encoded in the genome of human.


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


An organofluorine compound that is 4-benzoylpyrazole in which the phenyl is substituted at position 3 by a (2,3-dihydroxypropyl)oxy group and in which the pyrazole moiety is substituted at positions 1 and 5 by a 4-fluorophenyl group and an amino group, respectively.


name: Oxalyl-aryl-amino benzoic acid-based inhibitor 8a


name: Oxalyl-aryl-amino benzoic acid-based inhibitor 8b


name: Oxalyl-aryl-amino benzoic acid-based inhibitor 8c


name: Oxalyl-aryl-amino benzoic acid-based inhibitor 8d


name: Oxalyl-aryl-amino benzoic acid-based inhibitor 8e


name: Oxalyl-aryl-amino benzoic acid-based inhibitor 8f


name: Oxalyl-aryl-amino benzoic acid-based inhibitor 12


name: Oxalyl-aryl-amino benzoic acid-based inhibitor 13


name: Oxalyl-aryl-amino benzoic acid-based inhibitor 14


name: Oxalyl-aryl-amino benzoic acid-based inhibitor 15


name: Oxalyl-aryl-amino benzoic acid-based inhibitor 16


name: Oxalyl-aryl-amino benzoic acid-based inhibitor 17


name: Oxalyl-aryl-amino benzoic acid-based inhibitor 18


name: Oxalyl-aryl-amino benzoic acid-based inhibitor 19


name: Oxalyl-aryl-amino benzoic acid-based inhibitor 20


name: Oxalyl-aryl-amino benzoic acid-based inhibitor 21


name: Oxalyl-aryl-amino benzoic acid-based inhibitor 22


name: MK08_HUMAN Mitogen-activated protein kinase 8 (sprot)

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


name: MK09_HUMAN Mitogen-activated protein kinase 9 (sprot)

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


A member of the class of piperidinylimidazoles that is 1-methyl-4-(1-propylimidazol-2-yl)piperidine carrying additional 3,4-dichlorophenyl and 2-(cyclopropylamino)pyrimidin-4-yl substituents at positions 4 and 5 respectively.


A member of the class of anthrapyrazoles that is anthra[1,9-cd]pyrazole substituted at position 6 by an oxo group. An inhibitor of c-Jun N-terminal kinase.


name: {(E)-(3R,6S,9R)-3-[(1S,3R)-3-((S)-1-Butylcarbamoyl-2-methyl-propylcarb amoyl)-1-hydroxy-butyl]-6-methyl-5, 8-dioxo-1,11-dithia-4,7-diaza-cyclo pentadec-13-EN-9-YL}-carbamic acid tert-butyl ester


amiloride

A member of the class of pyrazines resulting from the formal monoacylation of guanidine with the carboxy group of 3,5-diamino-6-chloropyrazine-2-carboxylic acid.


A member of the class of piperidines carrying two aryl substituents (4-chlorophenyl and 4-(pyrazol-4-yl)phenyl) at position 4.


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

description: An aldo-keto reductase family 1 member B1 that is encoded in the genome of human.


name: Naphtho[1,2-d]isothiazole acetic acid deriv. 6


name: Naphtho[1,2-d]isothiazole acetic acid deriv. 7


name: Naphtho[1,2-d]isothiazole acetic acid deriv. 8


name: Naphtho[1,2-d]isothiazole acetic acid deriv. 9


name: Naphtho[1,2-d]isothiazole acetic acid deriv. 10


name: Naphtho[1,2-d]isothiazole acetic acid deriv. 11


BACE2_HUMAN Beta-secretase 2 (sprot)

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


alogliptin

A piperidine that is 3-methyl-2,4-dioxo-3,4-dihydropyrimidine carrying additional 2-cyanobenzyl and 3-aminopiperidin-1-yl groups at positions 1 and 2 respectively (the R-enantiomer). Used in the form of its benzoate salt for treatment of type 2 diabetes.


name: PYRD_RAT Dihydroorotate dehydrogenase (quinone), mitochondrial (sprot)

description: A dihydroorotate dehydrogenase (quinone), mitochondrial that is encoded in the genome of rat.


CTRC_HUMAN Chymotrypsin-C (sprot)

A chymotrypsin-C that is encoded in the genome of human.


phenylacetic acid

A monocarboxylic acid that is toluene in which one of the hydrogens of the methyl group has been replaced by a carboxy group.


(R)-mandelic acid

The (R)-enantiomer of mandelic acid.


(2-hydroxyphenyl)acetic acid

A hydroxy monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 2-hydroxyphenyl group. It is a metabolite of phenylalanine and is excreted in the urine of patients suffering from diseases like phenylketonuria.


4-chlorophenylacetic acid

A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 4-chlorophenyl group.


cinnamic acid

The E (trans) isomer of cinnamic acid


2-NAPHTHYLACETIC ACID

A naphthylacetic acid carrying a carboxy group at position 2.


HEXANOATE

A C6, straight-chain saturated fatty acid.


thioctic acid

A heterocyclic thia fatty acid comprising pentanoic acid with a 1,2-dithiolan-3-yl group at the 5-position.


THIOCTIC ACID AMIDE

A monocarboxylic acid amide resulting from the formal condensation of the carboxy group of lipoic acid with ammonia.


dihydrolipoic acid

A  thio-fatty acid that is reduced form of lipoic acid. A potent antioxidant shown to directly destroy superoxide, hydroperoxy and hydroxyl radicals; also has neuroprotective and anti-tumour effects.


sorbinil

An azaspiro compound having a monofluoro-substituted chromane skeleton spiro-linked to an imidazolidinedione ring.


name: AK1A1_HUMAN Aldo-keto reductase family 1 member A1 (sprot)

description: An aldo-keto reductase family 1 member A1 that is encoded in the genome of human.


CATB_BOVIN Cathepsin B (sprot)

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


name: MK11_MOUSE Mitogen-activated protein kinase 11 (sprot)

description: A mitogen-activated protein kinase 11 that is encoded in the genome of mouse.


name: PDPK1_HUMAN 3-phosphoinositide-dependent protein kinase 1 (sprot)

description: A 3-phosphoinositide-dependent protein kinase 1 that is encoded in the genome of human.


name: KAPCA_HUMAN cAMP-dependent protein kinase catalytic subunit alpha (sprot)

description: A cAMP-dependent protein kinase catalytic subunit alpha that is encoded in the genome of human.


A pyrimidinecarboxamide having the amido groups at the 4- and 6-positions and pyridin-3-ylmethyl as the amide N-substituents.


name: CAH5A_MOUSE Carbonic anhydrase 5A, mitochondrial (sprot)

description: A carbonic anhydrase 5A, mitochondrial that is encoded in the genome of mouse.


sorafenib

A member of the class of phenylureas that is urea in which one of the nitrogens is substituted by a 4-chloro-3-trifluorophenyl group while the other is substituted by a phenyl group which, in turn, is substituted at the para position by a [2-(methylcarbamoyl)pyridin-4-yl]oxy group.


name: RAF1_HUMAN RAF proto-oncogene serine/threonine-protein kinase (sprot)

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


name: BRAF_HUMAN Serine/threonine-protein kinase B-raf (sprot)

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


name: VGFR2_MOUSE Vascular endothelial growth factor receptor 2 (sprot)

description: A vascular endothelial growth factor receptor 2 that is encoded in the genome of mouse.


name: VGFR3_MOUSE Vascular endothelial growth factor receptor 3 (sprot)

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


name: 4-{4-Bromo-2-[(naphthalene-1-carbonyl)-amino]-phenyl}-piperazine-1-carboxylic acid tert-butyl ester


name: Hydroxyethylene-Based Peptidomimetic Inhibitor, 13


ITA4_HUMAN Integrin alpha-4 (sprot)

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


FA10_RAT Coagulation factor X (sprot)

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


An alanine derivative that is alanine substituted by a 2,6-dichlorobenzoyl group at the N and a 2-(2,6-dichlorophenyl)-6-quinolyl group at position 3.


name: AK1C3_HUMAN Aldo-keto reductase family 1 member C3 (sprot)

description: An aldo-keto reductase family 1 member C3 that is encoded in the genome of human.


name: DHB1_HUMAN 17-beta-hydroxysteroid dehydrogenase type 1 (sprot)

description: A 17-beta-hydroxysteroid dehydrogenase type 1 that is encoded in the genome of human.


name: BIRC2_HUMAN Baculoviral IAP repeat-containing protein 2 (sprot)

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