7UAS
Discovery of Potent Orally Bioavailable WD Repeat Domain 5 (WDR5) Inhibitors Using a Pharmacophore-Based Optimization
Summary for 7UAS
Entry DOI | 10.2210/pdb7uas/pdb |
Descriptor | WD repeat-containing protein 5, (5P)-2-[(S)-cyclopropyl(4-methylpyridin-2-yl)methyl]-5-[1-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-7-[(2-methyl-1H-imidazol-1-yl)methyl]-3,4-dihydroisoquinolin-1(2H)-one (3 entities in total) |
Functional Keywords | wdr5, structure-based design, transcription-transcription inhibitor complex, transcription/transcription inhibitor |
Biological source | Homo sapiens (human) |
Total number of polymer chains | 2 |
Total formula weight | 69879.19 |
Authors | Zhao, B. (deposition date: 2022-03-14, release date: 2022-05-04, Last modification date: 2023-10-18) |
Primary citation | Teuscher, K.B.,Meyers, K.M.,Wei, Q.,Mills, J.J.,Tian, J.,Alvarado, J.,Sai, J.,Van Meveren, M.,South, T.M.,Rietz, T.A.,Zhao, B.,Moore, W.J.,Stott, G.M.,Tansey, W.P.,Lee, T.,Fesik, S.W. Discovery of Potent Orally Bioavailable WD Repeat Domain 5 (WDR5) Inhibitors Using a Pharmacophore-Based Optimization. J.Med.Chem., 65:6287-6312, 2022 Cited by PubMed: 35436124DOI: 10.1021/acs.jmedchem.2c00195 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.808 Å) |
Structure validation
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