CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-40 A.K.A 7-[(1R)-1-phenyl-3-{[(1r,4r)-4-phenylcyclohexyl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine

CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-40 A.K.A 7-[(1R)-1-phenyl-3-{[(1r,4r)-4-phenylcyclohexyl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-{(1R)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, ... Authors: Khan, J.A. Deposit date: 2020-05-12 Release date: 2020-10-14 Last modified: 2024-12-25 Method: X-RAY DIFFRACTION (2.799 Å) Cite: Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase. Bioorg.Med.Chem., 28, 2020

髓过氧化物酶（myeloperoxidase, MPO）亚型C与化合物-40（别名7-[(1R)-1-苯基-3-{[(1r,4r)-4-苯基环己基]氨基}丙基]-3H-[1,2,3]三唑并[4,5-b]吡啶-5-胺）的晶体结构。描述符：2-乙酰氨基-2-脱氧-β-D-吡喃葡萄糖、2-乙酰氨基-2-脱氧-β-D-吡喃葡萄糖-(1→4)-2-乙酰氨基-2-脱氧-β-D-吡喃葡萄糖、7-{(1R)-1-苯基-3-[(反式-4-苯基环己基)氨基]丙基}-3H-[1,2,3]三唑并[4,5-b]吡啶-5-胺…… 作者：Khan, J.A.；提交日期：2020年5月12日；发布日期：2020年10月14日；最后修改日期：2024年12月25日；实验方法：X射线衍射（2.799 Å）；引用文献：《7-苄基三唑并吡啶类髓过氧化物酶可逆选择性抑制剂的发现及其构效关系》，Bioorg. Med. Chem., 28, 2020