6UFX

WD repeat-containing protein 5 complexed with N-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide (compound 13)

6UFX の概要

• エントリーDOI: 10.2210/pdb6ufx/pdb
• 関連するPDBエントリー: 6UCS
• 分子名称: WD repeat-containing protein 5, N-[(3,5-dimethoxyphenyl)methyl]-4'-fluoro-5-{[(2E)-2-imino-3-methyl-2,3-dihydro-1H-imidazol-1-yl]methyl}-2'-methyl[1,1'-biphenyl]-3-carboxamide (3 entities in total)
• 機能のキーワード: inhibitor, gene regulation-inhibitor complex, gene regulation/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: 33839.34

構造登録者

Rietz, T.A.,Fesik, S.W.,Zhao, B. (登録日: 2019-09-25, 公開日: 2020-01-01, 最終更新日: 2023-10-11)

• 主引用文献: 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

実験手法

X-RAY DIFFRACTION (2.015 Å)