6ZV8

Crystal Structure of Thrombin in complex with compound51

6ZV8 の概要

• エントリーDOI: 10.2210/pdb6zv8/pdb
• 分子名称: Prothrombin, Hirudin-2, [2-[[(1~{S})-1-(3-chlorophenyl)-2-fluoranyl-ethyl]amino]-7-methoxy-1,3-benzoxazol-5-yl]-[(2~{S},5~{S})-5-(2-hydroxyethyl)-2-methyl-morpholin-4-yl]methanone, ... (6 entities in total)
• 機能のキーワード: coagulation, blood clotting, convertion of fibrinogen to fibrin, blood clotting inhibitor, thrombin inhibitor, hydrolase
• 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: 36010.35

構造登録者

Schafer, M. (登録日: 2020-07-24, 公開日: 2020-08-26, 最終更新日: 2024-05-01)

• 主引用文献: Hillisch, A.,Gericke, K.M.,Allerheiligen, S.,Roehrig, S.,Schaefer, M.,Tersteegen, A.,Schulz, S.,Lienau, P.,Gnoth, M.,Puetter, V.,Hillig, R.C.,Heitmeier, S.; Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics.; J.Med.Chem., 63:12574-12594, 2020; PubMed: 33108181; DOI: 10.1021/acs.jmedchem.0c01035

実験手法

X-RAY DIFFRACTION (1.7 Å)