CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 2-[2-(4-fluorophenyl)-2-adamantyl]-1-(3-methoxyazetidin-1-yl)ethanone

Protein Data Bank Japan2026-02-18 更新2026-03-21 收录

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CRYSTAL STRUCTURE OF 11BETA-HSD1 DOUBLE MUTANT (L262R, F278E) COMPLEXED WITH 2-[2-(4-fluorophenyl)-2-adamantyl]-1-(3-methoxyazetidin-1-yl)ethanone Descriptor: 2-[2-(4-fluorophenyl)-2-adamantyl]-1-(3-methoxyazetidin-1-yl)ethanone, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE Authors: Sheriff, S. Deposit date: 2017-02-06 Release date: 2017-11-01 Last modified: 2026-02-18 Method: X-RAY DIFFRACTION (2.35 Å) Cite: Discovery of Clinical Candidate 2-((2S,6S)-2-Phenyl-6-hydroxyadamantan-2-yl)-1-(3'-hydroxyazetidin-1-yl)ethanone [BMS-816336], an Orally Active Novel Selective 11 beta-Hydroxysteroid Dehydrogenase Type 1 Inhibitor. J. Med. Chem., 60, 2017

11β-羟基类固醇脱氢酶1型（11β-HSD1）双突变体（L262R、F278E）与2-[2-(4-氟苯基)-2-金刚烷基]-1-(3-甲氧基氮杂环丁烷-1-基)乙酮的共晶结构配体描述：2-[2-(4-氟苯基)-2-金刚烷基]-1-(3-甲氧基氮杂环丁烷-1-基)乙酮、皮质类固醇11β-脱氢酶同工酶1、烟酰胺腺嘌呤二核苷酸磷酸（NADP）作者：Sheriff, S. 提交日期：2017-02-06 发布日期：2017-11-01 最后修改日期：2026-02-18 实验方法：X射线衍射（分辨率2.35埃）引用文献：临床候选化合物2-((2S,6S)-2-苯基-6-羟基金刚烷-2-基)-1-(3'-羟基氮杂环丁烷-1-基)乙酮[BMS-816336]——一种口服活性的新型选择性11β-羟基类固醇脱氢酶1型抑制剂。《药物化学杂志》（J. Med. Chem.），第60卷，2017年

创建时间：

2017-02-06