Reaction Details Report a problem with these data
Target
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]
Ligand
BDBM550719
Substrate
n/a
Meas. Tech.
In Vitro Biochemical Assay
IC50
<100±n/a nM
Citation
 Kelly, PF; Collis, A; Davis, J; Walker, D; Ashwell, S; Thomson, B; Lu, W Inhibiting mutant IDH-1 US Patent  US11376246 Publication Date 7/5/2022 
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:
BDBM550719
Synonyms:
US11311527, Cpd ID I-22 | US11376246, Cpd ID I-22 | US11576906, Compound I-22
Type:
Small organic molecule
Emp. Form.:
C19H17ClN4O3
Mol. Mass.:
384.816
SMILES:
COc1cc2[nH]c(=O)c(cc2cc1Cl)C(C)Nc1ccc(C#N)n(C)c1=O
Structure:
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