2EI6

FACTOR XA IN COMPLEX WITH THE INHIBITOR (-)-cis-N1-[(5-Chloroindol-2-yl)carbonyl]-N2-[(5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-yl)carbonyl]-1,2-cyclohexanediamine

2EI6 の概要

• エントリーDOI: 10.2210/pdb2ei6/pdb
• 関連するPDBエントリー: 1v3x 1wu1 2d1j 2EI7 2EI8
• 分子名称: Coagulation factor X, heavy chain, Coagulation factor X, light chain, CALCIUM ION, ... (5 entities in total)
• 機能のキーワード: glycoprotein, hydrolase, serine protease, plasma, blood coagulation factor, protein inhibitor complex, calcium-binding
• 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: 32745.69

構造登録者

Suzuki, M. (登録日: 2007-03-12, 公開日: 2008-03-18, 最終更新日: 2024-11-20)

主引用文献

Nagata, T.,Yoshino, T.,Haginoya, N.,Yoshikawa, K.,Isobe, Y.,Furugohri, T.,Kanno, H.
Cycloalkanediamine derivatives as novel blood coagulation factor Xa inhibitors.
Bioorg.Med.Chem.Lett., 17:4683-4688, 2007

PubMed Abstract: This paper describes the synthesis of orally available potent fXa inhibitors 2 and 3 by modification of the piperazine part of lead compound 1. Carbonyl derivative 3 showed potent fXa activity but not sulfonyl derivative 2. Among the compounds synthesized, cyclohexane derivatives 3g and 3h and cycloheptane derivative 3j had potent anticoagulant activity as well as anti-fXa activity. Synthetic study of the optical isomers of 3g demonstrated that (-)-3g had more potent activity.

PubMed: 17555959
DOI: 10.1016/j.bmcl.2007.05.068

実験手法

X-RAY DIFFRACTION (2.3 Å)