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: 35436124 DOI: 10.1021/acs.jmedchem.2c00195 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.808 Å)

Structure validation