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Target
Isocitrate dehydrogenase [NADP] cytoplasmic [R132H]
Ligand
BDBM303453
Substrate
n/a
Meas. Tech.
Mutant IDH1 R132H Biochemical Assay
IC50
540±n/a nM
Citation
 Rehwinkel, H; Bauser, M; Zimmermann, K; Kaulfuß, S; Neuhaus, R Benzimidazol-2-amines as MIDH1 inhibitors US Patent  US10138226 Publication Date 11/27/2018 
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:
BDBM303453
Synonyms:
(+-) methyl 2-{[4-(trifluoromethoxy)phenyl]amino}-1-[(trans)-3,3,5-trimethylcyclohexyl]-1H-benzimidazole-6-carboxylate | US10138226, Example 2-2
Type:
Small organic molecule
Emp. Form.:
C25H28F3N3O3
Mol. Mass.:
475.5033
SMILES:
COC(=O)c1ccc2nc(Nc3ccc(OC(F)(F)F)cc3)n([C@H]3C[C@H](C)CC(C)(C)C3)c2c1 |r|
Structure:
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