BACE1 in complex with (S)-5-(3-chloro-5-(5-(prop-1-yn-1-yl)pyridin-3-yl)thiophen-2-yl)-2,5-dimethyl-1,2,4-thiadiazinan-3-iminium 1,1-dioxide

BACE1 in complex with (S)-5-(3-chloro-5-(5-(prop-1-yn-1-yl)pyridin-3-yl)thiophen-2-yl)-2,5-dimethyl-1,2,4-thiadiazinan-3-iminium 1,1-dioxide Descriptor: (3E,5S)-5-{3-chloro-5-[5-(prop-1-yn-1-yl)pyridin-3-yl]thiophen-2-yl}-2,5-dimethyl-1,2,4-thiadiazinan-3-imine 1,1-dioxide, Beta-secretase 1 Authors: Orth, P. Deposit date: 2016-01-27 Release date: 2016-11-09 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Discovery of the 3-Imino-1,2,4-thiadiazinane 1,1-Dioxide Derivative Verubecestat (MK-8931)-A beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 Inhibitor for the Treatment of Alzheimer's Disease. J. Med. Chem., 59, 2016

与(S)-5-(3-氯-5-(5-(丙-1-炔-1-基)吡啶-3-基)噻吩-2-基)-2,5-二甲基-1,2,4-噻二嗪烷-3-亚胺鎓1,1-二氧化物结合的β分泌酶1（BACE1，Beta-secretase 1）
配体描述：(3E,5S)-5-{3-氯-5-[5-(丙-1-炔-1-基)吡啶-3-基]噻吩-2-基}-2,5-二甲基-1,2,4-噻二嗪烷-3-亚胺1,1-二氧化物，β分泌酶1
作者：Orth, P.
提交日期：2016-01-27
发布日期：2016-11-09
最后修改日期：2024-11-13
实验方法：X射线衍射法（分辨率1.95埃）
引用文献：《3-亚胺-1,2,4-噻二嗪烷1,1-二氧化物衍生物Verubecestat（MK-8931）的发现——一种用于治疗阿尔茨海默病的β位淀粉样前体蛋白裂解酶1抑制剂》，《药物化学杂志》（J. Med. Chem.），59卷，2016年