Reaction Details Report a problem with these data
Target
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]
Ligand
BDBM280251
Substrate
n/a
Meas. Tech.
In Vitro Assays for IDH1m (R132H or R132C) Inhibitors
IC50
<50±n/a nM
Citation
 Konteatis, ZD; Popovici-Muller, J; Travins, J; Zahler, R; Cai, Z; Zhou, D Therapeutically active compounds and their methods of use US Patent  US10946023 Publication Date 3/16/2021 
Target
Name:
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]
Synonyms:
IDH1 | IDH1 R132C | IDH1(R132C) | IDHC_HUMAN | Isocitrate dehydrogenase (IDH1)(R132C) | Isocitrate dehydrogenase 1 mutant (R132C) | Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1) (R132C) | PICD
Type:
Enzyme Catalytic Domain
Mol. Mass.:
46607.23
Organism:
Homo sapiens (Human)
Description:
O75874[R132C]
Residue:
414
Sequence:
MSKKISGGSVVEMQGDEMTRIIWELIKEKLIFPYVELDLHSYDLGIENRDATNDQVTKDAAEAIKKHNVGVKCATITPDEKRVEEFKLKQMWKSPNGTIRNILGGTVFREAIICKNIPRLVSGWVKPIIIGCHAYGDQYRATDFVVPGPGKVEITYTPSDGTQKVTYLVHNFEEGGGVAMGMYNQDKSIEDFAHSSFQMALSKGWPLYLSTKNTILKKYDGRFKDIFQEIYDKQYKSQFEAQKIWYEHRLIDDMVAQAMKSEGGFIWACKNYDGDVQSDSVAQGYGSLGMMTSVLVCPDGKTVEAEAAHGTVTRHYRMYQKGQETSTNPIASIFAWTRGLAHRAKLDNNKELAFFANALEEVSIETIEAGFMTKDLAACIKGLPNVQRSDYLNTFEFMDKLGENLKIKLAQAKL
  
Inhibitor
Name:
BDBM280251
Synonyms:
US10028961, Compound 410 | US10172864, Compound 410 | US10946023, Compound 410
Type:
Small organic molecule
Emp. Form.:
C18H18F7N7
Mol. Mass.:
465.3712
SMILES:
FC(F)(F)c1cncc(n1)-c1nc(N[C@@H]2CCC(F)(F)C2)nc(N[C@@H]2CCC(F)(F)C2)n1 |r|
Structure:
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