3KL6

Discovery of Tetrahydropyrimidin-2(1H)-one derivative TAK-442: A potent, selective and orally active factor Xa inhibitor

3KL6 の概要

• エントリーDOI: 10.2210/pdb3kl6/pdb
• 分子名称: Coagulation Factor X heavy chain, Coagulation Factor X light chain, 1-(1-{(2S)-3-[(6-chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}piperidin-4-yl)tetrahydropyrimidin-2(1H)-one, ... (6 entities in total)
• 機能のキーワード: coagulation factor xa, blood coagulation, cleavage on pair of basic residues, disulfide bond, egf-like domain, gamma-carboxyglutamic acid, glycoprotein, hydrolase, hydroxylation, protease, secreted, serine protease, zymogen
• 由来する生物種: Homo sapiens (human); 詳細
• 細胞内の位置: Secreted: P00742 P00742
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 34238.49

構造登録者

Aertgeerts, K. (登録日: 2009-11-06, 公開日: 2009-12-01, 最終更新日: 2023-09-06)

• 主引用文献: Fujimoto, T.,Imaeda, Y.,Konishi, N.,Hiroe, K.,Kawamura, M.,Textor, G.P.,Aertgeerts, K.,Kubo, K.; Discovery of a tetrahydropyrimidin-2(1H)-one derivative (TAK-442) as a potent, selective, and orally active factor Xa inhibitor.; J.Med.Chem., 53:3517-3531, 2010; PubMed: 20355714; DOI: 10.1021/jm901699j

実験手法

X-RAY DIFFRACTION (1.45 Å)