8UJY

Crystal structure of human WD repeat-containing protein 5 in complex with 4-(3,5-dimethoxybenzyl)-9-(4-fluoro-2-methylphenyl)-7-((2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl)methyl)-3,4-dihydrobenzo[f][1,4]oxazepin-5(2H)-one (compound 8)

Summary for 8UJY

• Entry DOI: 10.2210/pdb8ujy/pdb
• Descriptor: WD repeat-containing protein 5, (9P)-4-[(3,5-dimethoxyphenyl)methyl]-9-(4-fluoro-2-methylphenyl)-7-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-3,4-dihydro-1,4-benzoxazepin-5(2H)-one (3 entities in total)
• Functional Keywords: wdr5, cancer, drug discovery, transcription
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 69640.95

Authors

Zhao, B.,Amporndanai, K.,Fesik, S.W. (deposition date: 2023-10-11, release date: 2023-12-20, Last modification date: 2024-01-10)

• Primary citation: Teuscher, K.B.,Mills, J.J.,Tian, J.,Han, C.,Meyers, K.M.,Sai, J.,South, T.M.,Crow, M.M.,Van Meveren, M.,Sensintaffar, J.L.,Zhao, B.,Amporndanai, K.,Moore, W.J.,Stott, G.M.,Tansey, W.P.,Lee, T.,Fesik, S.W.; Structure-Based Discovery of Potent, Orally Bioavailable Benzoxazepinone-Based WD Repeat Domain 5 Inhibitors.; J.Med.Chem., 66:16783-16806, 2023; PubMed: 38085679; DOI: 10.1021/acs.jmedchem.3c01529

Experimental method

X-RAY DIFFRACTION (2.01 Å)