Reaction Details Report a problem with these data
Target
Isocitrate dehydrogenase [NADP] cytoplasmic
Ligand
BDBM247750
Substrate
n/a
Meas. Tech.
LC-MS Detection of 2-HG Assay
pH
7.4±n/a
Temperature
298.15±n/a K
IC50
117±n/a nM
Comments
extracted
Citation
 Caferro, TR; Chen, Z; Cho, YS; Costales, AQ; Levell, JR; Liu, G; Manning, JR; Sendzik, M; Shafer, C; Shultz, MD; Sutton, J; Wang, Y; Zhao, Q 3-pyrimidin-4-yl-oxazolidin-2-ones as inhibitors of mutant IDH US Patent  US9434719 Publication Date 9/6/2016 
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:
BDBM247750
Synonyms:
US10112931, Example 353 | US9434719, 353 as TFA salt | US9688672, Example 353
Type:
Small organic molecule
Emp. Form.:
C18H18F4N4O4
Mol. Mass.:
430.3535
SMILES:
C[C@@H](O)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(OC(F)F)cc2F)ncc1F |r|
Structure:
Search PDB for entries with ligand similarity: