Reaction Details Report a problem with these data
Target
Isocitrate dehydrogenase [NADP] cytoplasmic
Ligand
BDBM50506482
Substrate
n/a
Meas. Tech.
ChEMBL_1825942 (CHEMBL4325706)
IC50
40±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:
Homo sapiens (Human)
Description:
O75874
Residue:
414
Sequence:
MSKKISGGSVVEMQGDEMTRIIWELIKEKLIFPYVELDLHSYDLGIENRDATNDQVTKDAAEAIKKHNVGVKCATITPDEKRVEEFKLKQMWKSPNGTIRNILGGTVFREAIICKNIPRLVSGWVKPIIIGRHAYGDQYRATDFVVPGPGKVEITYTPSDGTQKVTYLVHNFEEGGGVAMGMYNQDKSIEDFAHSSFQMALSKGWPLYLSTKNTILKKYDGRFKDIFQEIYDKQYKSQFEAQKIWYEHRLIDDMVAQAMKSEGGFIWACKNYDGDVQSDSVAQGYGSLGMMTSVLVCPDGKTVEAEAAHGTVTRHYRMYQKGQETSTNPIASIFAWTRGLAHRAKLDNNKELAFFANALEEVSIETIEAGFMTKDLAACIKGLPNVQRSDYLNTFEFMDKLGENLKIKLAQAKL
  
Inhibitor
Name:
BDBM50506482
Synonyms:
CHEMBL4547257 | US11311527, Cpd ID I-1 | US11376246, Cpd ID I-1 | US11576906, Compound I-1
Type:
Small organic molecule
Emp. Form.:
C17H13ClN4O2
Mol. Mass.:
340.764
SMILES:
Cn1c(ccc(NCc2cc3cc(Cl)ccc3[nH]c2=O)c1=O)C#N
Structure:
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