Crystal structure of human phosphodiesterase 2A with 1-(5-tert-butoxy-2-chloro-phenyl)-N-isobutyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide

Crystal structure of human phosphodiesterase 2A with 1-(5-tert-butoxy-2-chloro-phenyl)-N-isobutyl-4-methyl-[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide Descriptor: 1-(5-tert-butoxy-2-chlorophenyl)-4-methyl-N-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinoxaline-8-carboxamide, MAGNESIUM ION, ZINC ION, ... Authors: Xu, R, Aertgeerts, K. Deposit date: 2018-01-22 Release date: 2018-08-15 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Mathematical and Structural Characterization of Strong Nonadditive Structure-Activity Relationship Caused by Protein Conformational Changes. J. Med. Chem., 61, 2018

人源磷酸二酯酶2A（human phosphodiesterase 2A）与1-(5-叔丁氧基-2-氯苯基)-N-异丁基-4-甲基-[1,2,4]三唑并[4,3-a]喹喔啉-8-甲酰胺的共晶晶体结构。配体参数：1-(5-叔丁氧基-2-氯苯基)-4-甲基-N-(2-甲基丙基)[1,2,4]三唑并[4,3-a]喹喔啉-8-甲酰胺、镁离子、锌离子……。作者：Xu, R、Aertgeerts, K。存入日期：2018-01-22，发布日期：2018-08-15，末次修改日期：2024-03-13。检测方法：X射线衍射（X-RAY DIFFRACTION），分辨率1.85埃（Å）。引用文献：《由蛋白质构象变化引发的强非加和构效关系的数学与结构表征》，《药物化学杂志》（J. Med. Chem.），第61卷，2018年。