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Target
Isocitrate dehydrogenase [NADP] cytoplasmic
Ligand
BDBM247785
Substrate
n/a
Meas. Tech.
ChEMBL_1764672 (CHEMBL4199919)
IC50
4.0±n/a nM
Citation
 Zhao, Q; Manning, JR; Sutton, J; Costales, A; Sendzik, M; Shafer, CM; Levell, JR; Liu, G; Caferro, T; Cho, YS; Palermo, M; Chenail, G; Dooley, J; Villalba, B; Farsidjani, A; Chen, J; Dodd, S; Gould, T; Liang, G; Slocum, K; Pu, M; Firestone, B; Growney, J; Heimbach, T; Pagliarini, R Optimization of 3-Pyrimidin-4-yl-oxazolidin-2-ones as Orally Bioavailable and Brain Penetrant Mutant IDH1 Inhibitors. ACS Med Chem Lett 9:746-751 (2018) [PubMed]  Article 
Target
Name:
Isocitrate dehydrogenase [NADP] cytoplasmic
Synonyms:
Cytosolic NADP-isocitrate dehydrogenase | IDH | IDH1 | IDHC_HUMAN | IDP | Isocitrate Dehydrogenase (IDH1) | Isocitrate dehydrogenase 1 (IDH1) | NADP(+)-specific ICDH | Oxalosuccinate decarboxylase | PICD
Type:
Protein
Mol. Mass.:
46661.29
Organism:
Homo sapiens (Human)
Description:
O75874
Residue:
414
Sequence:
MSKKISGGSVVEMQGDEMTRIIWELIKEKLIFPYVELDLHSYDLGIENRDATNDQVTKDAAEAIKKHNVGVKCATITPDEKRVEEFKLKQMWKSPNGTIRNILGGTVFREAIICKNIPRLVSGWVKPIIIGRHAYGDQYRATDFVVPGPGKVEITYTPSDGTQKVTYLVHNFEEGGGVAMGMYNQDKSIEDFAHSSFQMALSKGWPLYLSTKNTILKKYDGRFKDIFQEIYDKQYKSQFEAQKIWYEHRLIDDMVAQAMKSEGGFIWACKNYDGDVQSDSVAQGYGSLGMMTSVLVCPDGKTVEAEAAHGTVTRHYRMYQKGQETSTNPIASIFAWTRGLAHRAKLDNNKELAFFANALEEVSIETIEAGFMTKDLAACIKGLPNVQRSDYLNTFEFMDKLGENLKIKLAQAKL
  
Inhibitor
Name:
BDBM247785
Synonyms:
US10112931, Example 388 | US9434719, 388 as TFA salt | US9688672, Example 388
Type:
Small organic molecule
Emp. Form.:
C20H20ClFN6O2
Mol. Mass.:
430.863
SMILES:
C[C@H](F)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cn(cn2)-c2ccc(Cl)cc2)n1 |r|
Structure:
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