4LOY

Crystal Structure Analysis of thrombin in complex with compound D57, 5-Chlorothiophene-2-carboxylic acid [(S)-2-[2-methyl-3-(2- oxopyrrolidin-1-yl)benzenesulfonylamino]-3-(4-methylpiperazin-1- yl)-3-oxopropyl]amide (SAR107375)

4LOY の概要

• エントリーDOI: 10.2210/pdb4loy/pdb
• 分子名称: Thrombin heavy chain, Hirudin variant-2, Thrombin light chain, ... (7 entities in total)
• 機能のキーワード: serine proteases, dual thrombin/factor xa inhibition, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Homo sapiens (human); 詳細
• タンパク質・核酸の鎖数: 3
• 化学式量合計: 35033.81

構造登録者

Stehlin-Gaon, C.,Bocskei, Z. (登録日: 2013-07-14, 公開日: 2014-06-04, 最終更新日: 2020-07-29)

• 主引用文献: Meneyrol, J.,Follmann, M.,Lassalle, G.,Wehner, V.,Barre, G.,Rousseaux, T.,Altenburger, J.M.,Petit, F.,Bocskei, Z.,Schreuder, H.,Alet, N.,Herault, J.P.,Millet, L.,Dol, F.,Florian, P.,Schaeffer, P.,Sadoun, F.,Klieber, S.,Briot, C.,Bono, F.,Herbert, J.M.; 5-Chlorothiophene-2-carboxylic acid [(S)-2-[2-methyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonylamino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]amide (SAR107375), a selective and potent orally active dual thrombin and factor Xa inhibitor.; J.Med.Chem., 56:9441-9456, 2013; PubMed: 24175584; DOI: 10.1021/jm4005835

実験手法

X-RAY DIFFRACTION (1.77 Å)