6VIW

BRD4_Bromodomain1 complex with pyrrolopyridone compound 18

6VIW の概要

• エントリーDOI: 10.2210/pdb6viw/pdb
• 分子名称: Bromodomain-containing protein 4, 4-[2-(2,4-difluorophenoxy)-5-(methylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (3 entities in total)
• 機能のキーワード: bromodomain, signaling protein
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 3
• 化学式量合計: 43273.81

構造登録者

Longenecker, K.L.,Park, C.H.,Qiu, W. (登録日: 2020-01-14, 公開日: 2020-05-06, 最終更新日: 2023-10-11)

• 主引用文献: Sheppard, G.S.,Wang, L.,Fidanze, S.D.,Hasvold, L.A.,Liu, D.,Pratt, J.K.,Park, C.H.,Longenecker, K.,Qiu, W.,Torrent, M.,Kovar, P.J.,Bui, M.,Faivre, E.,Huang, X.,Lin, X.,Wilcox, D.,Zhang, L.,Shen, Y.,Albert, D.H.,Magoc, T.J.,Rajaraman, G.,Kati, W.M.,McDaniel, K.F.; Discovery ofN-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain.; J.Med.Chem., 63:5585-5623, 2020; PubMed: 32324999; DOI: 10.1021/acs.jmedchem.0c00628

実験手法

X-RAY DIFFRACTION (2.429 Å)