6WNH

Menin bound to inhibitor M-808

6WNH の概要

• エントリーDOI: 10.2210/pdb6wnh/pdb
• 分子名称: Menin, methyl [(1S,2R)-2-{(1S)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-[1-({1-[4-({1-[4-(piperidin-1-yl)butanoyl]azetidin-3-yl}sulfonyl)phenyl]azetidin-3-yl}methyl)piperidin-4-yl]ethyl}cyclopentyl]carbamate, praseodymium triacetate, ... (4 entities in total)
• 機能のキーワード: inhibitor, protein binding, transcription
• 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: 63472.53

構造登録者

Stuckey, J.A. (登録日: 2020-04-22, 公開日: 2020-05-13, 最終更新日: 2023-10-18)

• 主引用文献: Xu, S.,Aguilar, A.,Huang, L.,Xu, T.,Zheng, K.,McEachern, D.,Przybranowski, S.,Foster, C.,Zawacki, K.,Liu, Z.,Chinnaswamy, K.,Stuckey, J.,Wang, S.; Discovery of M-808 as a Highly Potent, Covalent, Small-Molecule Inhibitor of the Menin-MLL Interaction with StrongIn VivoAntitumor Activity.; J.Med.Chem., 63:4997-5010, 2020; PubMed: 32338903; DOI: 10.1021/acs.jmedchem.0c00547

実験手法

X-RAY DIFFRACTION (2.1 Å)