7V18

Factor XIa in Complex with Compound 3f

7V18 の概要

• エントリーDOI: 10.2210/pdb7v18/pdb
• 分子名称: Coagulation factor XIa light chain, CITRIC ACID, 2-[(1~{R})-3-[bis(fluoranyl)methoxy]-1-[4-(3-methyl-1,2,3-triazol-4-yl)pyrazol-1-yl]propyl]-5-[3-chloranyl-6-(4-chloranyl-1,2,3-triazol-1-yl)-2-fluoranyl-phenyl]-1-oxidanyl-pyridine, ... (4 entities in total)
• 機能のキーワード: hydrolase, serine protease, coagulation factor, blood clotting
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 27628.97

構造登録者

Shaffer, P.L.,Milligan, C.M. (登録日: 2022-05-11, 公開日: 2022-08-03, 最終更新日: 2023-10-18)

• 主引用文献: Xu, G.,Liu, Z.,Wang, X.,Lu, T.,DesJarlais, R.L.,Thieu, T.,Zhang, J.,Devine, Z.H.,Du, F.,Li, Q.,Milligan, C.M.,Shaffer, P.,Cedervall, P.E.,Spurlino, J.C.,Stratton, C.F.,Pietrak, B.,Szewczuk, L.M.,Wong, V.,Steele, R.A.,Bruinzeel, W.,Chintala, M.,Silva, J.,Gaul, M.D.,Macielag, M.J.,Nargund, R.; Discovery of Potent and Orally Bioavailable Pyridine N-Oxide-Based Factor XIa Inhibitors through Exploiting Nonclassical Interactions.; J.Med.Chem., 65:10419-10440, 2022; PubMed: 35862732; DOI: 10.1021/acs.jmedchem.2c00442

実験手法

X-RAY DIFFRACTION (1.732 Å)