8E9F
WD repeat-containing protein 5 complexed with 4-(7-((1H-imidazol-1-yl)methyl)-5-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl)-6-ethyl-N-methylquinoline-8-carboxamide (compound 10)
Summary for 8E9F
Entry DOI | 10.2210/pdb8e9f/pdb |
Descriptor | WD repeat-containing protein 5, BENZAMIDINE, 6-ethyl-4-[(5P)-7-[(1H-imidazol-1-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl]-N-methylquinoline-8-carboxamide, ... (4 entities in total) |
Functional Keywords | wdr5, drug discovery, cancer, transcription |
Biological source | Homo sapiens (human) |
Total number of polymer chains | 1 |
Total formula weight | 34296.88 |
Authors | Rietz, T.A.,Fesik, S.W. (deposition date: 2022-08-26, release date: 2023-01-11, Last modification date: 2023-10-25) |
Primary citation | Teuscher, K.B.,Chowdhury, S.,Meyers, K.M.,Tian, J.,Sai, J.,Van Meveren, M.,South, T.M.,Sensintaffar, J.L.,Rietz, T.A.,Goswami, S.,Wang, J.,Grieb, B.C.,Lorey, S.L.,Howard, G.C.,Liu, Q.,Moore, W.J.,Stott, G.M.,Tansey, W.P.,Lee, T.,Fesik, S.W. Structure-based discovery of potent WD repeat domain 5 inhibitors that demonstrate efficacy and safety in preclinical animal models. Proc.Natl.Acad.Sci.USA, 120:e2211297120-e2211297120, 2023 Cited by PubMed: 36574664DOI: 10.1073/pnas.2211297120 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.55 Å) |
Structure validation
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