Structure of keap1 kelch domain with (1S,2R)-2-{[(1S)-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid

Structure of keap1 kelch domain with (1S,2R)-2-{[(1S)-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid Descriptor: (1S,2R)-2-{[(1S)-1-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-3,4-dihydroisoquinolin-2(1H)-yl]carbonyl}cyclohexanecarboxylic acid, ACETATE ION, Kelch-like ECH-associated protein 1, ... Authors: Jnoff, E, Brookfield, F, Albrecht, C, Barker, J.J, Barker, O, Beaumont, E, Bromidge, S, Brooks, M, Ceska, T, Courade, J.P, Crabbe, T, Duclos, S, Fryatt, T, Jigorel, E, Kwong, J, Sands, Z, Smith, M.A. Deposit date: 2013-06-13 Release date: 2014-02-19 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (2.41 Å) Cite: Binding Mode and Structure-Activity Relationships around Direct Inhibitors of the Nrf2-Keap1 Complex. Chemmedchem, 9, 2014

结合配体(1S,2R)-2-{[(1S)-1-[(1,3-二氧代-1,3-二氢-2H-异吲哚-2-基)甲基]-3,4-二氢异喹啉-2(1H)-基]羰基}环己烷羧酸的Keap1 Kelch结构域（Kelch domain）。描述项：(1S,2R)-2-{[(1S)-1-[(1,3-二氧代-1,3-二氢-2H-异吲哚-2-基)甲基]-3,4-二氢异喹啉-2(1H)-基]羰基}环己烷羧酸、乙酸根离子、Keap1（Kelch样ECH相关蛋白1，Kelch-like ECH-associated protein 1）等。作者：Jnoff, E、Brookfield, F、Albrecht, C、Barker, J.J、Barker, O、Beaumont, E、Bromidge, S、Brooks, M、Ceska, T、Courade, J.P、Crabbe, T、Duclos, S、Fryatt, T、Jigorel, E、Kwong, J、Sands, Z、Smith, M.A.。提交日期：2013-06-13；发布日期：2014-02-19；最后修改日期：2024-11-06。实验方法：X射线衍射（X-RAY DIFFRACTION），分辨率2.41埃（2.41 Å）。引用文献：《Nrf2-Keap1复合物直接抑制剂的结合模式与构效关系》（Binding Mode and Structure-Activity Relationships around Direct Inhibitors of the Nrf2-Keap1 Complex），《Chemmedchem》，第9卷，2014年。