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Target
Isocitrate dehydrogenase [NADP] cytoplasmic
Ligand
BDBM50506480
Substrate
n/a
Meas. Tech.
ChEMBL_1825945 (CHEMBL4325709)
IC50
4.0±n/a nM
Citation
 Caravella, JA; Lin, J; Diebold, RB; Campbell, AM; Ericsson, A; Gustafson, G; Wang, Z; Castro, J; Clarke, A; Gotur, D; Josephine, HR; Katz, M; Kershaw, M; Yao, L; Toms, AV; Barr, KJ; Dinsmore, CJ; Walker, D; Ashwell, S; Lu, W Structure-Based Design and Identification of FT-2102 (Olutasidenib), a Potent Mutant-Selective IDH1 Inhibitor. J Med Chem 63:1612-1623 (2020) [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:
Human
Description:
O75874
Residue:
414
Sequence:
MSKKISGGSVVEMQGDEMTRIIWELIKEKLIFPYVELDLHSYDLGIENRDATNDQVTKDAAEAIKKHNVGVKCATITPDEKRVEEFKLKQMWKSPNGTIRNILGGTVFREAIICKNIPRLVSGWVKPIIIGRHAYGDQYRATDFVVPGPGKVEITYTPSDGTQKVTYLVHNFEEGGGVAMGMYNQDKSIEDFAHSSFQMALSKGWPLYLSTKNTILKKYDGRFKDIFQEIYDKQYKSQFEAQKIWYEHRLIDDMVAQAMKSEGGFIWACKNYDGDVQSDSVAQGYGSLGMMTSVLVCPDGKTVEAEAAHGTVTRHYRMYQKGQETSTNPIASIFAWTRGLAHRAKLDNNKELAFFANALEEVSIETIEAGFMTKDLAACIKGLPNVQRSDYLNTFEFMDKLGENLKIKLAQAKL
  
Inhibitor
Name:
BDBM50506480
Synonyms:
CHEMBL4437754 | US11311527, Cpd ID I-20 | US11376246, Cpd ID I-20 | US11576906, Compound I-20
Type:
Small organic molecule
Emp. Form.:
C19H17ClN4O3
Mol. Mass.:
384.816
SMILES:
COc1cc2[nH]c(=O)c(cc2cc1Cl)[C@H](C)Nc1ccc(C#N)n(C)c1=O |r|
Structure:
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