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Target
Isocitrate dehydrogenase [NADP] cytoplasmic [1-390,401-414,R132C]
Ligand
BDBM317539
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:
BDBM317539
Synonyms:
6-chloro-3-[(1S)-1-{[3-(2-methylpropyl)-2-oxo-2H,3H-[1,3]oxazolo[4,5-d]pyrimidin-5-yl]amino}ethyl]-1,2-dihydroquinolin-2-one | US9624175, Compound I-55
Type:
Small organic molecule
Emp. Form.:
C20H20ClN5O3
Mol. Mass.:
413.857
SMILES:
CC(C)Cn1c2nc(N[C@@H](C)c3cc4cc(Cl)ccc4[nH]c3=O)ncc2oc1=O |r|
Structure:
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