8BO3

COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR Asundexian

これはPDB形式変換不可エントリーです。

8BO3 の概要

• エントリーDOI: 10.2210/pdb8bo3/pdb
• 分子名称: Coagulation factor XIa light chain, 4-[[(2~{S})-2-[4-[5-chloranyl-2-[4-(trifluoromethyl)-1,2,3-triazol-1-yl]phenyl]-5-methoxy-2-oxidanylidene-pyridin-1-yl]butanoyl]amino]-2-fluoranyl-benzamide, CITRIC ACID, ... (4 entities in total)
• 機能のキーワード: s1 protease, serine protease, structure-based drug design, active site directed inhibitor, hydrolase, blood clotting
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 27641.55

構造登録者

Schaefer, M.,Roehrig, S.,Ackerstaff, J.,Nunez, E.J.,Gericke, K.M.,Meier, K.,Tersteegen, A.,Stampfuss, J.,Ellerbrock, P.,Meibom, D.,Lang, D.,Heitmeier, S.,Hillisch, A. (登録日: 2022-11-14, 公開日: 2023-09-13, 最終更新日: 2023-09-20)

• 主引用文献: Roehrig, S.,Ackerstaff, J.,Jimenez Nunez, E.,Teller, H.,Ellerbrock, P.,Meier, K.,Heitmeier, S.,Tersteegen, A.,Stampfuss, J.,Lang, D.,Schlemmer, K.H.,Schaefer, M.,Gericke, K.M.,Kinzel, T.,Meibom, D.,Schmidt, M.,Gerdes, C.,Follmann, M.,Hillisch, A.; Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders.; J.Med.Chem., 66:12203-12224, 2023; PubMed: 37669040; DOI: 10.1021/acs.jmedchem.3c00795

実験手法

X-RAY DIFFRACTION (1.841 Å)