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Target
Isocitrate dehydrogenase [NADP] cytoplasmic
Ligand
BDBM50529007
Substrate
n/a
Meas. Tech.
ChEMBL_1907071 (CHEMBL4409429)
IC50
2.1±n/a nM
Citation
 Cao, H; Zhu, G; Sun, L; Chen, G; Ma, X; Luo, X; Zhu, J Discovery of new small molecule inhibitors targeting isocitrate dehydrogenase 1 (IDH1) with blood-brain barrier penetration. Eur J Med Chem 183:0 (2019) [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:
BDBM50529007
Synonyms:
CHEMBL4548637
Type:
Small organic molecule
Emp. Form.:
C23H21ClF4N6O2
Mol. Mass.:
524.898
SMILES:
[H][C@@]1(COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2ncn-3c2CCc2cc(ccc-32)C(F)(F)F)n1)[C@H](C)F |r|
Structure:
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