Target
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]
Ligand
BDBM390492
Substrate
n/a
Meas. Tech.
Biochemical Assay
IC50
20.0±n/a nM
Citation
 Rehwinkel, HPanknin, ORing, SAnlauf, SSiebeneicher, HNguyen, DSchwede, WBauser, MZimmermann, KKaulfuss, SNeuhaus, RBlaney, 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:
BDBM390492
Synonyms:
US10442772, Example 2-164-2 | US9957235, 2-160 | US9957235, 2-160-1 | US9957235, 2-160-2 | US9957235, 2-164 | US9957235, 2-164-1 | US9957235, 2-164-2
Type:
Small organic molecule
Emp. Form.:
C29H39N3O2
Mol. Mass.:
461.6389
SMILES:
CC(C)c1ccc(Nc2nc3cc(CCC(O)=O)c(C)cc3n2[C@H]2C[C@@H](C)CC(C)(C)C2)cc1
Structure:
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