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; PubMed: 36574664; DOI: 10.1073/pnas.2211297120

Experimental method

X-RAY DIFFRACTION (1.55 Å)