Reaction Details Report a problem with these data
Target
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]
Ligand
BDBM390666
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
20.0±n/a nM
Citation
 Rehwinkel, H; Panknin, O; Ring, S; Anlauf, S; Siebeneicher, H; Nguyen, D; Schwede, W; Bauser, M; Zimmermann, K; Kaulfuss, S; Neuhaus, R; Blaney, PM Benzimidazol-2-amines as mIDH1 inhibitors US Patent  US9957235 Publication Date 5/1/2018 
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:
BDBM390666
Synonyms:
US10442772, Example 2-249-2 | US9957235, 2-249-1 | US9957235, 2-249-2
Type:
Small organic molecule
Emp. Form.:
C27H34FN3O2
Mol. Mass.:
451.5762
SMILES:
CC(C)c1ccc(Nc2nc3cc(CC(O)=O)c(F)cc3n2C2CC(C)CC(C)(C)C2)cc1
Structure:
Search PDB for entries with ligand similarity: