5QTV

FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl [(2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-8,11-epimino-1,9-benzodiazacyclotridecin-14-yl]carbamate

5QTV の概要

• エントリーDOI: 10.2210/pdb5qtv/pdb
• Group deposition: FXIa (G_1002108)
• 分子名称: Coagulation factor XI, methyl [(2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-8,11-epimino-1,9-benzodiazacyclotridecin-14-yl]carbamate, 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)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 29229.37

構造登録者

Sheriff, S. (登録日: 2019-11-13, 公開日: 2020-01-29, 最終更新日: 2021-05-12)

• 主引用文献: Fang, T.,Corte, J.R.,Gilligan, P.J.,Jeon, Y.,Osuna, H.,Rossi, K.A.,Myers Jr., J.E.,Sheriff, S.,Lou, Z.,Zheng, J.J.,Harper, T.W.,Bozarth, J.M.,Wu, Y.,Luettgen, J.M.,Seiffert, D.A.,Wexler, R.R.,Lam, P.Y.S.; Orally bioavailable amine-linked macrocyclic inhibitors of factor XIa.; Bioorg.Med.Chem.Lett., 30:126949-126949, 2020; PubMed: 31932224; DOI: 10.1016/j.bmcl.2020.126949

実験手法

X-RAY DIFFRACTION (2.2 Å)