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Literature summary extracted from

  • Jakob, C.G.; Upadhyay, A.K.; Donner, P.L.; Nicholl, E.; Addo, S.N.; Qiu, W.; Ling, C.; Gopalakrishnan, S.M.; Torrent, M.; Cepa, S.P.; Shanley, J.; Shoemaker, A.R.; Sun, C.C.; Vasudevan, A.; Woller, K.R.; Shotwell, J.B.; Shaw, B.; Bian, Z.; Hutti, J.E.
    Novel modes of inhibition of wild-type isocitrate dehydrogenase 1 (IDH1) Direct covalent modification of His315 (2018), J. Med. Chem., 61, 6647-6657 .
    View publication on PubMed

Protein Variants

EC Number Protein Variants Comment Organism
1.1.1.42 R132H the mutant is inhibited by BAY1436032 Homo sapiens

Inhibitors

EC Number Inhibitors Comment Organism Structure
1.1.1.42 (5aS,6S,9aR)-2-benzoyl-6-methyl-7-oxo-9a-phenyl-4,5,5a,6,7,9a-hexahydro-2H-benzo[g]indazole-8-carbonitrile
-
 Homo sapiens
1.1.1.42 (5aS,6S,9aR)-6-methyl-7-oxo-9a-phenyl-4,5,5a,6,7,9a-hexahydro-2H-benzo[g]indazole-8-carbonitrile
-
 Homo sapiens
1.1.1.42 (6aS,7S,10aR)-2-anilino-7-methyl-8-oxo-10a-phenyl-5,6,6a,7,8,10a-hexahydrobenzo[h]quinazoline-9-carbonitrile
-
 Homo sapiens
1.1.1.42 (6aS,7S,10aR)-7,10a-dimethyl-8-oxo-2-(phenylamino)-5,6,6a,7,8,10a-hexahydrobenzo[h]quinazoline-9-carbonitrile
-
 Homo sapiens
1.1.1.42 (6aS,7S,10aR)-7-methyl-8-oxo-10a-phenyl-2-[(pyridin-3-yl)amino]-5,6,6a,7,8,10a-hexahydrobenzo[h]quinazoline-9-carbonitrile
-
 Homo sapiens
1.1.1.42 (6aS,7S,10aR)-7-methyl-8-oxo-10a-phenyl-5,6,6a,7,8,10a-hexahydrobenzo[h]quinazoline-9-carbonitrile
-
 Homo sapiens
1.1.1.42 (6aS,7S,10aS)-2-anilino-7-methyl-10a-phenyl-5,6a,7,10a-tetrahydrobenzo[h]quinazolin-8(6H)-one
-
 Homo sapiens
1.1.1.42 (7R)-1-[(4-fluorophenyl)methyl]-N-[3-[(1R)-1-hydroxyethyl]phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
-
 Homo sapiens
1.1.1.42 3-[(5aS,6S,9aR)-8-cyano-6-methyl-7-oxo-2,4,5,5a,6,7-hexahydro-9aH-benzo[g]indazol-9a-yl]benzoic acid
-
 Homo sapiens
1.1.1.42 3-[(6aS,7S,10aR)-2-anilino-9-cyano-7-methyl-8-oxo-6,6a,7,8-tetrahydrobenzo[h]quinazolin-10a(5H)-yl]benzoic acid
-
 Homo sapiens
1.1.1.42 4,5,6,7-tetrabromo-1,3-dihydro-2H-benzimidazol-2-one
-
 Homo sapiens

Localization

EC Number Localization Comment Organism GeneOntology No. Textmining
1.1.1.42 cytosol
-
 Homo sapiens 5829
-

Natural Substrates/ Products (Substrates)

EC Number Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
1.1.1.42 isocitrate + NADP+ Homo sapiens
-
 2-oxoglutarate + CO2 + NADPH + H+
-
 r

Organism

EC Number Organism UniProt Comment Textmining
1.1.1.42 Homo sapiens O75874
-
-

Source Tissue

EC Number Source Tissue Comment Organism Textmining
1.1.1.42 A-498 cell
-
 Homo sapiens
-

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
1.1.1.42 isocitrate + NADP+
-
 Homo sapiens 2-oxoglutarate + CO2 + NADPH + H+
-
 r

Synonyms

EC Number Synonyms Comment Organism
1.1.1.42 IDH1
-
 Homo sapiens
1.1.1.42 isocitrate dehydrogenase 1
-
 Homo sapiens

Cofactor

EC Number Cofactor Comment Organism Structure
1.1.1.42 NADP+
-
 Homo sapiens

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
1.1.1.42 0.000041
-
 pH and temperature not specified in the publication Homo sapiens 3-[(6aS,7S,10aR)-2-anilino-9-cyano-7-methyl-8-oxo-6,6a,7,8-tetrahydrobenzo[h]quinazolin-10a(5H)-yl]benzoic acid
1.1.1.42 0.000082
-
 pH and temperature not specified in the publication Homo sapiens (6aS,7S,10aR)-7-methyl-8-oxo-10a-phenyl-2-[(pyridin-3-yl)amino]-5,6,6a,7,8,10a-hexahydrobenzo[h]quinazoline-9-carbonitrile
1.1.1.42 0.00011
-
 pH and temperature not specified in the publication Homo sapiens (6aS,7S,10aR)-2-anilino-7-methyl-8-oxo-10a-phenyl-5,6,6a,7,8,10a-hexahydrobenzo[h]quinazoline-9-carbonitrile
1.1.1.42 0.00012
-
 pH and temperature not specified in the publication Homo sapiens (7R)-1-[(4-fluorophenyl)methyl]-N-[3-[(1R)-1-hydroxyethyl]phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
1.1.1.42 0.00021
-
 pH and temperature not specified in the publication Homo sapiens (5aS,6S,9aR)-2-benzoyl-6-methyl-7-oxo-9a-phenyl-4,5,5a,6,7,9a-hexahydro-2H-benzo[g]indazole-8-carbonitrile
1.1.1.42 0.00027
-
 pH and temperature not specified in the publication Homo sapiens 4,5,6,7-tetrabromo-1,3-dihydro-2H-benzimidazol-2-one
1.1.1.42 0.00041
-
 pH and temperature not specified in the publication Homo sapiens (6aS,7S,10aR)-7,10a-dimethyl-8-oxo-2-(phenylamino)-5,6,6a,7,8,10a-hexahydrobenzo[h]quinazoline-9-carbonitrile
1.1.1.42 0.0015
-
 pH and temperature not specified in the publication Homo sapiens 3-[(5aS,6S,9aR)-8-cyano-6-methyl-7-oxo-2,4,5,5a,6,7-hexahydro-9aH-benzo[g]indazol-9a-yl]benzoic acid
1.1.1.42 0.00177
-
 pH and temperature not specified in the publication Homo sapiens (6aS,7S,10aR)-2-anilino-7-methyl-8-oxo-10a-phenyl-5,6,6a,7,8,10a-hexahydrobenzo[h]quinazoline-9-carbonitrile
1.1.1.42 0.008
-
 pH and temperature not specified in the publication Homo sapiens (6aS,7S,10aR)-7-methyl-8-oxo-10a-phenyl-5,6,6a,7,8,10a-hexahydrobenzo[h]quinazoline-9-carbonitrile
1.1.1.42 0.01
-
 IC50 above 0.01 mM, pH and temperature not specified in the publication Homo sapiens (5aS,6S,9aR)-6-methyl-7-oxo-9a-phenyl-4,5,5a,6,7,9a-hexahydro-2H-benzo[g]indazole-8-carbonitrile
1.1.1.42 0.01
-
 IC50 above 0.01 mM, pH and temperature not specified in the publication Homo sapiens (6aS,7S,10aS)-2-anilino-7-methyl-10a-phenyl-5,6a,7,10a-tetrahydrobenzo[h]quinazolin-8(6H)-one