Target
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]
Ligand
BDBM363584
Substrate
n/a
IC50
<100±n/a nM
Citation
 Lemieux, RMPopovici-Muller, JTravins, JCai, ZCui, DZhou, D Therapeutically active compounds and their methods of use US Patent  US11021515 Publication Date 6/1/2021 
Target
Name:
Isocitrate dehydrogenase [NADP] cytoplasmic [R132C]
Synonyms:
IDH1 | IDH1 R132C | IDH1(R132C) | IDHC_HUMAN | Isocitrate dehydrogenase (IDH1)(R132C) | Isocitrate dehydrogenase 1 mutant (R132C) | Isocitrate dehydrogenase [NADP] cytoplasmic (IDH1) (R132C) | PICD
Type:
Enzyme Catalytic Domain
Mol. Mass.:
46607.23
Organism:
Homo sapiens (Human)
Description:
O75874[R132C]
Residue:
414
Sequence:
MSKKISGGSVVEMQGDEMTRIIWELIKEKLIFPYVELDLHSYDLGIENRDATNDQVTKDAAEAIKKHNVGVKCATITPDEKRVEEFKLKQMWKSPNGTIRNILGGTVFREAIICKNIPRLVSGWVKPIIIGCHAYGDQYRATDFVVPGPGKVEITYTPSDGTQKVTYLVHNFEEGGGVAMGMYNQDKSIEDFAHSSFQMALSKGWPLYLSTKNTILKKYDGRFKDIFQEIYDKQYKSQFEAQKIWYEHRLIDDMVAQAMKSEGGFIWACKNYDGDVQSDSVAQGYGSLGMMTSVLVCPDGKTVEAEAAHGTVTRHYRMYQKGQETSTNPIASIFAWTRGLAHRAKLDNNKELAFFANALEEVSIETIEAGFMTKDLAACIKGLPNVQRSDYLNTFEFMDKLGENLKIKLAQAKL
  
Inhibitor
Name:
BDBM363584
Synonyms:
US10640534, Compound 76 | US10689414, Compound 78 | US10717764, Compound 76 | US11021515, Compound 76 | US11667673, Compound 76 | US9850277, Compound 76
Type:
Small organic molecule
Emp. Form.:
C28H25ClF3N5O4
Mol. Mass.:
587.977
SMILES:
Fc1cccc(c1)N([C@H](C(=O)NC1CCC(F)(F)CC1)c1ccccc1Cl)C(=O)[C@@H]1COC(=O)N1c1ncccn1 |r|
Structure:
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