6O2Y
Crystal structure of IDH1 R132H mutant in complex with compound 24
Summary for 6O2Y
Entry DOI | 10.2210/pdb6o2y/pdb |
Descriptor | Isocitrate dehydrogenase [NADP] cytoplasmic, 4-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methoxybenzonitrile, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... (5 entities in total) |
Functional Keywords | idh1, allosteric inhibitor, oxidoreductase, inhibitor complex, oxidoreductase-inhibitor complex, oxidoreductase/inhibitor |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 3 |
Total formula weight | 147860.83 |
Authors | Toms, A.V.,Lin, J. (deposition date: 2019-02-25, release date: 2019-06-26, Last modification date: 2024-03-13) |
Primary citation | Lin, J.,Lu, W.,Caravella, J.A.,Campbell, A.M.,Diebold, R.B.,Ericsson, A.,Fritzen, E.,Gustafson, G.R.,Lancia Jr., D.R.,Shelekhin, T.,Wang, Z.,Castro, J.,Clarke, A.,Gotur, D.,Josephine, H.R.,Katz, M.,Diep, H.,Kershaw, M.,Yao, L.,Kauffman, G.,Hubbs, S.E.,Luke, G.P.,Toms, A.V.,Wang, L.,Bair, K.W.,Barr, K.J.,Dinsmore, C.,Walker, D.,Ashwell, S. Discovery and Optimization of Quinolinone Derivatives as Potent, Selective, and Orally Bioavailable Mutant Isocitrate Dehydrogenase 1 (mIDH1) Inhibitors. J.Med.Chem., 62:6575-6596, 2019 Cited by PubMed: 31199148DOI: 10.1021/acs.jmedchem.9b00362 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.8 Å) |
Structure validation
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