Reaction Details Report a problem with these data
Target
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]
Ligand
BDBM482792
Substrate
n/a
Meas. Tech.
Mutant IDH1 R132H Biochemical Assay
IC50
180±n/a nM
Citation
 Panknin, O; Hartung, I; Rehwinkel, H; Nguyen, D; Zorn, L; Helfrich, P; Zimmermann, K; Neuhaus, R Fused imidazoles as mIDH1 inhibitors US Patent  US10919862 Publication Date 2/16/2021 
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:
BDBM482792
Synonyms:
3-(1-[(1R,5R)-5-(hydroxymethyl)-3,3-dimethylcyclohexyl]-2-{[4-(trifluoromethoxy)-phenyl]amino}-1H-benzimidazol-5-yl)propanoic acid | US10919862, Example 2-3
Type:
Small organic molecule
Emp. Form.:
C26H30F3N3O4
Mol. Mass.:
505.5293
SMILES:
CC1(C)C[C@@H](CO)C[C@H](C1)n1c(Nc2ccc(OC(F)(F)F)cc2)nc2cc(CCC(O)=O)ccc12 |r|
Structure:
Search PDB for entries with ligand similarity: