Reaction Details Report a problem with these data
Target
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]
Ligand
BDBM321252
Substrate
n/a
Meas. Tech.
Mutant IDH1 R132H Biochemical Assay
IC50
80.0±n/a nM
Citation
 Panknin, O; Zimmermann, K; Neuhaus, R 2-aryl- and 2-arylalkyl-benzimidazoles as mIDH1 inhibitors US Patent  US10179123 Publication Date 1/15/2019 
Target
Name:
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]
Synonyms:
Cytosolic NADP-isocitrate dehydrogenase (IDH1)(R132H) | IDH1 | IDH1 R132H | IDH1(R132H) | IDHC_HUMAN | Isocitrate dehydrogenase (IDH1)(R132H) | Isocitrate dehydrogenase 1 mutant (R132H) | Isocitrate dehydrogenase [NADP] cytoplasmic (IDH)(R132H) | Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1)(R132H) | Isocitrate dehydrogenase [NADP] cytoplasmic (R132H) | PICD
Type:
Protein
Mol. Mass.:
46641.74
Organism:
Homo sapiens (Human)
Description:
Human IDH1 R132H (SEQ ID No. 2 in patent). First three are removed. Google patent parsed wrong.
Residue:
414
Sequence:
MSKKISGGSVVEMQGDEMTRIIWELIKEKLIFPYVELDLHSYDLGIENRDATNDQVTKDAAEAIKKHNVGVKCATITPDEKRVEEFKLKQMWKSPNGTIRNILGGTVFREAIICKNIPRLVSGWVKPIIIGHHAYGDQYRATDFVVPGPGKVEITYTPSDGTQKVTYLVHNFEEGGGVAMGMYNQDKSIEDFAHSSFQMALSKGWPLYLSTKNTILKKYDGRFKDIFQEIYDKQYKSQFEAQKIWYEHRLIDDMVAQAMKSEGGFIWACKNYDGDVQSDSVAQGYGSLGMMTSVLVCPDGKTVEAEAAHGTVTRHYRMYQKGQETSTNPIASIFAWTRGLAHRAKLDNNKELAFFANALEEVSIETIEAGFMTKDLAACIKGLPNVQRSDYLNTFEFMDKLGENLKIKLAQAKL
  
Inhibitor
Name:
BDBM321252
Synonyms:
3-{4-fluoro-1-(3,3,5,5-tetramethylcyclohexyl)-2-[4-(trifluoromethoxy)benzyl]-1H-benzimidazol-5-yl}Propanoic Acid | US10179123, Example 2-52
Type:
Small organic molecule
Emp. Form.:
C28H32F4N2O3
Mol. Mass.:
520.5589
SMILES:
CC1(C)CC(CC(C)(C)C1)n1c(Cc2ccc(OC(F)(F)F)cc2)nc2c(F)c(CCC(O)=O)ccc12
Structure:
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