6DAK

Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design

Summary for 6DAK

• Entry DOI: 10.2210/pdb6dak/pdb
• Descriptor: WD repeat-containing protein 5, N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}benzamide, DIMETHYL SULFOXIDE, ... (4 entities in total)
• Functional Keywords: wdr5, win-site, fragment screening, structure-based design, mixed-lineage leukemia, dna binding protein, dna binding protein-inhibitor complex, dna binding protein/inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 34786.51

Authors

Phan, J.,Fesik, S.W. (deposition date: 2018-05-01, release date: 2018-09-05, Last modification date: 2023-10-04)

• Primary citation: Wang, F.,Jeon, K.O.,Salovich, J.M.,Macdonald, J.D.,Alvarado, J.,Gogliotti, R.D.,Phan, J.,Olejniczak, E.T.,Sun, Q.,Wang, S.,Camper, D.,Yuh, J.P.,Shaw, J.G.,Sai, J.,Rossanese, O.W.,Tansey, W.P.,Stauffer, S.R.,Fesik, S.W.; Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design.; J. Med. Chem., 61:5623-5642, 2018; PubMed: 29889518; DOI: 10.1021/acs.jmedchem.8b00375

Experimental method

X-RAY DIFFRACTION (1.6 Å)