6UCS

Discovery and Structure-Based optimization of potent and selective WDR5 inhibitors containing a dihydroisoquinolinone bicyclic core

Summary for 6UCS

• Entry DOI: 10.2210/pdb6ucs/pdb
• Descriptor: WD repeat-containing protein 5, 2-amino-3-{[(5P)-2-[(3,5-dimethoxyphenyl)methyl]-5-(4-fluoro-2-methylphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-7-yl]methyl}-1-methyl-1H-imidazol-3-ium (3 entities in total)
• Functional Keywords: wdr5, structure-based design, mixed-lineage leukemia, transcription
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 69813.18

Authors

Zhao, B. (deposition date: 2019-09-17, release date: 2020-01-01, Last modification date: 2024-05-15)

• Primary citation: Tian, J.,Teuscher, K.B.,Aho, E.R.,Alvarado, J.R.,Mills, J.J.,Meyers, K.M.,Gogliotti, R.D.,Han, C.,Macdonald, J.D.,Sai, J.,Shaw, J.G.,Sensintaffar, J.L.,Zhao, B.,Rietz, T.A.,Thomas, L.R.,Payne, W.G.,Moore, W.J.,Stott, G.M.,Kondo, J.,Inoue, M.,Coffey, R.J.,Tansey, W.P.,Stauffer, S.R.,Lee, T.,Fesik, S.W.; Discovery and Structure-Based Optimization of Potent and Selective WD Repeat Domain 5 (WDR5) Inhibitors Containing a Dihydroisoquinolinone Bicyclic Core.; J.Med.Chem., 63:656-675, 2020; PubMed: 31858797; DOI: 10.1021/acs.jmedchem.9b01608

Experimental method

X-RAY DIFFRACTION (1.85 Å)