6C0S

Factor XIA in complex with the inhibitor methyl (4-{6-[(1S)-2-[(3R)-1-acetylpiperidin-3-yl]-1-({(2E)-3-[5-chloro-2- (1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)ethyl]-3-chloropyridazin-4-yl}phenyl) carbamate

6C0S の概要

• エントリーDOI: 10.2210/pdb6c0s/pdb
• 分子名称: Coagulation factor XI, methyl (4-{6-[(1S)-2-[(3R)-1-acetylpiperidin-3-yl]-1-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)ethyl]-3-chloropyridazin-4-yl}phenyl)carbamate, SULFATE ION, ... (5 entities in total)
• 機能のキーワード: hydrolase-hydrolase inhibitor complex, serine protease, blood coagulation factor, protein inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Secreted: P03951
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 29105.76

構造登録者

Sheriff, S. (登録日: 2018-01-02, 公開日: 2018-03-07, 最終更新日: 2023-10-04)

• 主引用文献: Hu, Z.,Wang, C.,Han, W.,Rossi, K.A.,Bozarth, J.M.,Wu, Y.,Sheriff, S.,Myers, J.E.,Luettgen, J.M.,Seiffert, D.A.,Wexler, R.R.,Quan, M.L.; Pyridazine and pyridazinone derivatives as potent and selective factor XIa inhibitors.; Bioorg. Med. Chem. Lett., 28:987-992, 2018; PubMed: 29501396; DOI: 10.1016/j.bmcl.2018.02.049

実験手法

X-RAY DIFFRACTION (2.35 Å)