The Fk1 domain of FKBP51 in complex with the new synthetic ligand 2-(3-((R)-1-((S)-1-((S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl)piperidine-2-carboxamido)-3-(3,4-dimethoxyphenyl)propyl)phenoxy)acetic acid

The Fk1 domain of FKBP51 in complex with the new synthetic ligand 2-(3-((R)-1-((S)-1-((S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl)piperidine-2-carboxamido)-3-(3,4-dimethoxyphenyl)propyl)phenoxy)acetic acid Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP5, {3-[(1R)-1-[({(2S)-1-[(2S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl]piperidin-2-yl}carbonyl)amino]-3-(3,4-dimethoxyphenyl)propyl]phenoxy}acetic acid Authors: Gaali, S, Feng, X, Sippel, C, Bracher, A, Hausch, F. Deposit date: 2015-09-01 Release date: 2016-03-23 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Rapid, Structure-Based Exploration of Pipecolic Acid Amides as Novel Selective Antagonists of the FK506-Binding Protein 51. J.Med.Chem., 59, 2016

FK506结合蛋白51(FKBP51)的Fk1结构域与新型合成配体2-(3-((R)-1-((S)-1-((S)-2-环己基-2-(3,4,5-三甲氧基苯基)乙酰基)哌啶-2-甲酰胺基)-3-(3,4-二甲氧基苯基)丙基)苯氧基)乙酸形成的复合物。描述符：肽基脯氨酰顺反异构酶(Peptidyl-prolyl cis-trans isomerase) FKBP5，{3-[(1R)-1-[({(2S)-1-[(2S)-2-环己基-2-(3,4,5-三甲氧基苯基)乙酰基]哌啶-2-基}羰基)氨基]-3-(3,4-二甲氧基苯基)丙基]苯氧基}乙酸。作者：Gaali S、Feng X、Sippel C、Bracher A、Hausch F。沉积日期：2015年9月1日。发布日期：2016年3月23日。最后修改日期：2024年1月10日。实验方法：X射线衍射（分辨率1.3 Å）。引用文献：Gaali S等. 基于结构快速探索哌啶甲酰胺类(Pipecolic Acid Amides)作为FK506结合蛋白51的新型选择性拮抗剂[J]. J.Med.Chem., 2016, 59。