5QCL

FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid

5QCL の概要

• エントリーDOI: 10.2210/pdb5qcl/pdb
• Group deposition: FXIa (G_1002041)
• 関連するPDBエントリー: 5QCK 5QCM 5QCN
• 分子名称: Coagulation factor XI, 4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid, SULFATE ION, ... (5 entities in total)
• 機能のキーワード: hydrolase, serine protease, blood coagulation factor, protein inhibitor complex, hydrolase-hydrolase 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: 28846.03

構造登録者

Sheriff, S. (登録日: 2017-08-10, 公開日: 2017-11-08, 最終更新日: 2018-02-21)

• 主引用文献: Pinto, D.J.P.,Orwat, M.J.,Smith, L.M.,Quan, M.L.,Lam, P.Y.S.,Rossi, K.A.,Apedo, A.,Bozarth, J.M.,Wu, Y.,Zheng, J.J.,Xin, B.,Toussaint, N.,Stetsko, P.,Gudmundsson, O.,Maxwell, B.,Crain, E.J.,Wong, P.C.,Lou, Z.,Harper, T.W.,Chacko, S.A.,Myers, J.E.,Sheriff, S.,Zhang, H.,Hou, X.,Mathur, A.,Seiffert, D.A.,Wexler, R.R.,Luettgen, J.M.,Ewing, W.R.; Discovery of a Parenteral Small Molecule Coagulation Factor XIa Inhibitor Clinical Candidate (BMS-962212).; J. Med. Chem., 60:9703-9723, 2017; PubMed: 29077405; DOI: 10.1021/acs.jmedchem.7b01171

実験手法

X-RAY DIFFRACTION (2.11 Å)