BRD4_Bromodomain1 complex with pyrrolopyridone compound 27

BRD4_Bromodomain1 complex with pyrrolopyridone compound 27 Descriptor: 4-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide, Bromodomain-containing protein 4 Authors: Longenecker, K.L, Park, C.H, Qiu, W. Deposit date: 2020-01-14 Release date: 2020-05-06 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.391 Å) Cite: 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, 2020本数据集为含溴结构域蛋白4（Bromodomain-containing protein 4）的溴结构域1（BRD4 Bromodomain 1）与吡咯并吡啶酮（pyrrolopyridone）化合物27的复合物。复合物配体的化学结构描述为：4-[2-(2,6-二甲基苯氧基)-5-(乙基磺酰基)苯基]-N-乙基-6-甲基-7-氧代-6,7-二氢-1H-吡咯并[2,3-c]吡啶-2-甲酰胺。作者：Longenecker, K.L.、Park, C.H.、Qiu, W. 存入日期：2020-01-14 发布日期：2020-05-06 最后修改日期：2023-10-11 实验方法：X射线衍射（X-RAY DIFFRACTION），分辨率2.391埃（Å）。引用文献：《N-乙基-4-[2-(4-氟-2,6-二甲基苯氧基)-5-(1-羟基-1-甲基乙基)苯基]-6-甲基-7-氧代-1H-吡咯并[2,3-c]吡啶-2-甲酰胺（ABBV-744）的发现：一种对第二溴结构域具有选择性的BET溴结构域抑制剂》，《药物化学杂志》（J. Med. Chem.），第63卷，2020年