CRYSTAL STRUCTURE OF MURINE 11BETA- HYDROXYSTEROIDDEHYDROGENASE COMPLEXED WITH 2-[(5R,7S)-6-HYDROXY-2-PHENYLADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE (BMS-816336)

CRYSTAL STRUCTURE OF MURINE 11BETA- HYDROXYSTEROIDDEHYDROGENASE COMPLEXED WITH 2-[(5R,7S)-6-HYDROXY-2-PHENYLADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE (BMS-816336) Descriptor: 2-[(5R,7S)-6-HYDROXY-2-PHENYLADAMANTAN-2-YL]-1-(3-HYDROXYAZETIDIN-1-YL)ETHAN-1-ONE, 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 (2.9 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

与2-[(5R,7S)-6-羟基-2-苯基金刚烷-2-基]-1-(3-羟基氮杂环丁烷-1-基)乙-1-酮（BMS-816336）结合的鼠源11β-羟基类固醇脱氢酶的晶体结构
描述物：2-[(5R,7S)-6-羟基-2-苯基金刚烷-2-基]-1-(3-羟基氮杂环丁烷-1-基)乙-1-酮、皮质类固醇11-β-脱氢酶同工酶1、烟酰胺腺嘌呤二核苷酸磷酸（nicotinamide adenine dinucleotide phosphate，NADP）……
作者：Sheriff, S.
入库日期：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2.9 Å）
引用文献：《口服活性新型选择性11β-羟基类固醇脱氢酶1型抑制剂BMS-816336的临床候选化合物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)乙酮的发现》，《药物化学杂志》，2017年，第60卷。