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Target
Isocitrate dehydrogenase [NADP] cytoplasmic [1-390,401-414,R132C]
Ligand
BDBM317533
Substrate
n/a
IC50
<100±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 
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:
BDBM317533
Synonyms:
6-chloro-3-[(1S)-1-({1-methyl-2-oxo-1H,2H,4H-pyrimido[4,5-d][1,3]oxazin-7-yl}amino)ethyl]-7-(pyridin-2-ylmethoxy)-1,2-dihydroquinolin-2-one | US9624175, Compound I-48
Type:
Small organic molecule
Emp. Form.:
C24H21ClN6O4
Mol. Mass.:
492.914
SMILES:
C[C@H](Nc1ncc2COC(=O)N(C)c2n1)c1cc2cc(Cl)c(OCc3ccccn3)cc2[nH]c1=O |r|
Structure:
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