Reaction Details
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Report a problem with these dataTarget
Isocitrate dehydrogenase [NADP] cytoplasmic [1-390,401-414,R132C]
Ligand
BDBM317529
Substrate
n/a
IC50
>10000±n/a nM
Citation
Lin, J; Ericsson, A; Campbell, A; Gustafson, G; Wang, Z; Diebold, RB; Ashwell, S; Lancia, Jr., DR; Caravella, JA; Lu, W Fused-bicyclic aryl quinolinone derivatives as mutant-isocitrate dehydrogenase inhibitors US Patent US9624175 Publication Date 4/18/2017 More Info.:
Target
Name:
Isocitrate dehydrogenase [NADP] cytoplasmic [1-390,401-414,R132C]
Synonyms:
IDH1 | IDHC_HUMAN | Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1)(R132C) | PICD
Type:
Enzyme Catalytic Domain
Mol. Mass.:
45318.79
Organism:
Homo sapiens (Human)
Description:
O75874[1-390,401-414,R132C]
Residue:
404
Sequence:
MSKKISGGSVVEMQGDEMTRIIWELIKEKLIFPYVELDLHSYDLGIENRDATNDQVTKDAAEAIKKHNVGVKCATITPDEKRVEEFKLKQMWKSPNGTIRNILGGTVFREAIICKNIPRLVSGWVKPIIIGCHAYGDQYRATDFVVPGPGKVEITYTPSDGTQKVTYLVHNFEEGGGVAMGMYNQDKSIEDFAHSSFQMALSKGWPLYLSTKNTILKKYDGRFKDIFQEIYDKQYKSQFEAQKIWYEHRLIDDMVAQAMKSEGGFIWACKNYDGDVQSDSVAQGYGSLGMMTSVLVCPDGKTVEAEAAHGTVTRHYRMYQKGQETSTNPIASIFAWTRGLAHRAKLDNNKELAFFANALEEVSIETIEAGFMTKDLAACIKGLPNVQRSDLGENLKIKLAQAKL
Inhibitor
Name:
BDBM317529
Synonyms:
3-[(1S)-1-({1-acetyl-1H,2H,3H-pyrido[3,4-b][1,4]oxazin-5-yl}amino)ethyl]-6-chloro-1,2-dihydroquinolin-2-one | US9624175, Compound I-44
Type:
Small organic molecule
Emp. Form.:
C20H19ClN4O3
Mol. Mass.:
398.843
SMILES:
C[C@H](Nc1nccc2N(CCOc12)C(C)=O)c1cc2cc(Cl)ccc2[nH]c1=O |r|
Structure:
