7UAS

Discovery of Potent Orally Bioavailable WD Repeat Domain 5 (WDR5) Inhibitors Using a Pharmacophore-Based Optimization

7UAS の概要

• エントリーDOI: 10.2210/pdb7uas/pdb
• 分子名称: 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)
• 機能のキーワード: wdr5, structure-based design, 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: 2
• 化学式量合計: 69879.19

構造登録者

Zhao, B. (登録日: 2022-03-14, 公開日: 2022-05-04, 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 (1.808 Å)