Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(5-(2-((2S,4R)-4-ethoxy-1-methylpyrrolidin-2-yl)ethyl)-2,3-difluorophenethyl)-4-methylpyridin-2-amine

Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(5-(2-((2S,4R)-4-ethoxy-1-methylpyrrolidin-2-yl)ethyl)-2,3-difluorophenethyl)-4-methylpyridin-2-amine Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[2-(5-{2-[(2S,4R)-4-ethoxy-1-methylpyrrolidin-2-yl]ethyl}-2,3-difluorophenyl)ethyl]-4-methylpyridin-2-amine, ACETATE ION, ... Authors: Li, H, Poulos, T.L. Deposit date: 2018-12-21 Release date: 2019-03-13 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.999 Å) Cite: Optimization of Blood-Brain Barrier Permeability with Potent and Selective Human Neuronal Nitric Oxide Synthase Inhibitors Having a 2-Aminopyridine Scaffold. J. Med. Chem., 62, 2019

大鼠神经元型一氧化氮合酶（neuronal nitric oxide synthase）血红素结构域与6-(5-(2-((2S,4R)-4-乙氧基-1-甲基吡咯烷-2-基)乙基)-2,3-二氟苯乙基)-4-甲基吡啶-2-胺形成的复合物的晶体结构。配体描述：5,6,7,8-四氢生物蝶呤（5,6,7,8-TETRAHYDROBIOPTERIN）、6-[2-(5-{2-[(2S,4R)-4-乙氧基-1-甲基吡咯烷-2-基]乙基}-2,3-二氟苯基)乙基]-4-甲基吡啶-2-胺、乙酸根离子（ACETATE ION）等。作者：Li, H、Poulos, T.L.。沉积日期：2018-12-21；发布日期：2019-03-13；最后修改日期：2023-10-11。实验方法：X射线衍射（X-RAY DIFFRACTION），分辨率1.999埃（Å）。引用文献：《使用具有2-氨基吡啶骨架的强效选择性人神经元型一氧化氮合酶抑制剂优化血脑屏障通透性》，J. Med. Chem.，62卷，2019年。