Reaction Details  Report a problem with these data
Target
Isocitrate dehydrogenase [NADP] cytoplasmic
Ligand
BDBM279960
Substrate
n/a
Meas. Tech.
ChEMBL_1838752 (CHEMBL4338885)
IC50
0.700000±n/a nM
Citation
 Konteatis, Z; Artin, E; Nicolay, B; Straley, K; Padyana, AK; Jin, L; Chen, Y; Narayaraswamy, R; Tong, S; Wang, F; Zhou, D; Cui, D; Cai, Z; Luo, Z; Fang, C; Tang, H; Lv, X; Nagaraja, R; Yang, H; Su, SM; Sui, Z; Dang, L; Yen, K; Popovici-Muller, J; Codega, P; Campos, C; Mellinghoff, IK; Biller, SA Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma. ACS Med Chem Lett 11:101-107 (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:
BDBM279960
Synonyms:
US10028961, Compound 113 | US10172864, Compound 113 | US10946023, Compound 113
Type:
Small organic molecule
Emp. Form.:
C18H19ClF4N6
Mol. Mass.:
430.83
SMILES:
FC1(F)CCC(C1)Nc1nc(NC2CCC(F)(F)C2)nc(n1)-c1cccc(Cl)n1
Structure:
Search PDB for entries with ligand similarity: