7U9Y

WDR5 bound to 2-(3,5-dimethoxybenzyl)-7-((2-methyl-1H-imidazol-1-yl)methyl)-5-(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)-3,4-dihydroisoquinolin-1(2H)-one

7U9Y の概要

• エントリーDOI: 10.2210/pdb7u9y/pdb
• 分子名称: WD repeat-containing protein 5, BENZAMIDINE, (5P)-2-[(3,5-dimethoxyphenyl)methyl]-7-[(2-methyl-1H-imidazol-1-yl)methyl]-5-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]-3,4-dihydroisoquinolin-1(2H)-one, ... (4 entities in total)
• 機能のキーワード: transcription-transcription inhibitor complex, transcription/transcription inhibitor
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 34248.83

構造登録者

Rietz, T. (登録日: 2022-03-11, 公開日: 2022-04-27, 最終更新日: 2023-10-18)

• 主引用文献: 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; PubMed: 35436124; DOI: 10.1021/acs.jmedchem.2c00195

実験手法

X-RAY DIFFRACTION (1.9 Å)