1SB1

Novel Non-Covalent Thrombin Inhibitors Incorporating P1 4,5,6,7-Tetrahydrobenzothiazole Arginine Side Chain Mimetics

1SB1 の概要

• エントリーDOI: 10.2210/pdb1sb1/pdb
• 分子名称: Prothrombin, hirugen, SODIUM ION, ... (6 entities in total)
• 機能のキーワード: thrombin, inhibition, hirugen, serine protease inhibitor, blood clotting, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Homo sapiens (human); 詳細
• 細胞内の位置: Secreted, extracellular space: P00734 P00734; Secreted: P28504
• タンパク質・核酸の鎖数: 3
• 化学式量合計: 34949.89

構造登録者

Marinko, P.,Krbavcic, A.,Mlinsek, G.,Solmajer, T.,Trampus-Bakija, A.,Stegnar, M.,Stojan, J.,Kikelj, D. (登録日: 2004-02-09, 公開日: 2004-06-08, 最終更新日: 2024-11-20)

主引用文献

Marinko, P.,Krbavcic, A.,Mlinsek, G.,Solmajer, T.,Trampus-Bakija, A.,Stegnar, M.,Stojan, J.,Kikelj, D.
Novel non-covalent thrombin inhibitors incorporating P(1) 4,5,6,7-tetrahydrobenzothiazole arginine side chain mimetics
Eur.J.Med.Chem., 39:257-265, 2004

PubMed Abstract: The design, synthesis and biological activity of a series of novel non-covalent D-Phe-Pro-Arg motif-based thrombin inhibitors incorporating 4,5,6,7-tetrahydrobenzothiazol-2-amine as a novel arginine surrogate are described. Compound 9, the most potent in the series of thrombin inhibitors, exhibited an in vitro K(i) of 128 nM and 342-fold selectivity against trypsin. The binding mode of this novel class of thrombin inhibitors in the enzyme active site, based on the X-ray crystal structure of compound 9 co-crystallized with human alpha-thrombin, is discussed.

PubMed: 15051174
DOI: 10.1016/j.ejmech.2003.12.006

実験手法

X-RAY DIFFRACTION (1.9 Å)