5TQF

Factor VIIa in complex with the inhibitor (11R)-11-[(1-aminoisoquinolin-6-yl)amino]-16-(cyclopropylsulfonyl)-13-methyl-2,13-diazatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaene-3,12-dione

5TQF の概要

• エントリーDOI: 10.2210/pdb5tqf/pdb
• 関連するPDBエントリー: 5TQE 5TQG
• 分子名称: Factor VIIa (Heavy Chain), Factor VIIa (Light Chain), (11R)-11-[(1-aminoisoquinolin-6-yl)amino]-16-(cyclopropylsulfonyl)-13-methyl-2,13-diazatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaene-3,12-dione, ... (7 entities in total)
• 機能のキーワード: glycoprotein, hydrolase, serine protease, plasma, blood coagulation factor, protein inhibitor complex, calcium-binding, 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: P08709 P08709
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 35404.37

構造登録者

Wei, A. (登録日: 2016-10-24, 公開日: 2017-02-01, 最終更新日: 2024-10-09)

主引用文献

Richter, J.M.,Cheney, D.L.,Bates, J.A.,Wei, A.,Luettgen, J.M.,Rendina, A.R.,Harper, T.M.,Narayanan, R.,Wong, P.C.,Seiffert, D.,Wexler, R.R.,Priestley, E.S.
Design and Synthesis of Novel Meta-Linked Phenylglycine Macrocyclic FVIIa Inhibitors.
ACS Med Chem Lett, 8:67-72, 2017

PubMed Abstract: Two novel series of meta-linked phenylglycine-based macrocyclic FVIIa inhibitors have been designed to improve the rodent metabolic stability and PK observed with the precursor para-linked phenylglycine macrocycles. Through iterative structure-based design and optimization, the TF/FVIIa was improved to subnanomolar levels with good clotting activity, metabolic stability, and permeability.

PubMed: 28105277
DOI: 10.1021/acsmedchemlett.6b00375

実験手法

X-RAY DIFFRACTION (1.85 Å)