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Target
Isocitrate dehydrogenase [NADP] cytoplasmic
Ligand
BDBM50465393
Substrate
n/a
Meas. Tech.
ChEMBL_1784714 (CHEMBL4256231)
IC50
40±n/a nM
Citation
 Popovici-Muller, J; Lemieux, RM; Artin, E; Saunders, JO; Salituro, FG; Travins, J; Cianchetta, G; Cai, Z; Zhou, D; Cui, D; Chen, P; Straley, K; Tobin, E; Wang, F; David, MD; Penard-Lacronique, V; Quivoron, C; Saada, V; de Botton, S; Gross, S; Dang, L; Yang, H; Utley, L; Chen, Y; Kim, H; Jin, S; Gu, Z; Yao, G; Luo, Z; Lv, X; Fang, C; Yan, L; Olaharski, A; Silverman, L; Biller, S; Su, SM; Yen, K Discovery of AG-120 (Ivosidenib): A First-in-Class Mutant IDH1 Inhibitor for the Treatment of IDH1 Mutant Cancers. ACS Med Chem Lett 9:300-305 (2018) [PubMed]  Article 
Target
Name:
Isocitrate dehydrogenase [NADP] cytoplasmic
Synonyms:
Cytosolic NADP-isocitrate dehydrogenase | IDH | IDH1 | IDHC_HUMAN | IDP | Isocitrate Dehydrogenase (IDH1) | Isocitrate dehydrogenase 1 (IDH1) | NADP(+)-specific ICDH | Oxalosuccinate decarboxylase | PICD
Type:
Protein
Mol. Mass.:
46661.29
Organism:
Homo sapiens (Human)
Description:
O75874
Residue:
414
Sequence:
MSKKISGGSVVEMQGDEMTRIIWELIKEKLIFPYVELDLHSYDLGIENRDATNDQVTKDAAEAIKKHNVGVKCATITPDEKRVEEFKLKQMWKSPNGTIRNILGGTVFREAIICKNIPRLVSGWVKPIIIGRHAYGDQYRATDFVVPGPGKVEITYTPSDGTQKVTYLVHNFEEGGGVAMGMYNQDKSIEDFAHSSFQMALSKGWPLYLSTKNTILKKYDGRFKDIFQEIYDKQYKSQFEAQKIWYEHRLIDDMVAQAMKSEGGFIWACKNYDGDVQSDSVAQGYGSLGMMTSVLVCPDGKTVEAEAAHGTVTRHYRMYQKGQETSTNPIASIFAWTRGLAHRAKLDNNKELAFFANALEEVSIETIEAGFMTKDLAACIKGLPNVQRSDYLNTFEFMDKLGENLKIKLAQAKL
  
Inhibitor
Name:
BDBM50465393
Synonyms:
CHEMBL4281172
Type:
Small organic molecule
Emp. Form.:
C29H25ClF4N4O3
Mol. Mass.:
588.98
SMILES:
Fc1cccc(c1)N([C@H](C(=O)NC1CC(F)(F)C1)c1ccccc1Cl)C(=O)C[C@@H]1CCC(=O)N1c1cc(F)ccn1 |r|
Structure:
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