4WXI

FACTOR XIA IN COMPLEX WITH THE INHIBITOR trans-N-{(1S)-1-[4-(3-amino-2H-indazol-6-yl)pyridin-2-yl]-2-phenylethyl}-4-(aminomethyl)cyclohexanecarboxamide

4WXI の概要

• エントリーDOI: 10.2210/pdb4wxi/pdb
• 分子名称: COAGULATION FACTOR XI, LIGHT CHAIN, trans-N-{(1S)-1-[4-(3-amino-2H-indazol-6-yl)pyridin-2-yl]-2-phenylethyl}-4-(aminomethyl)cyclohexanecarboxamide, SULFATE ION, ... (5 entities in total)
• 機能のキーワード: hydrolase, serine protease, blood coagulation factor, protein inhibitor complex, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 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: 28385.20

構造登録者

Wei, A. (登録日: 2014-11-13, 公開日: 2015-01-28, 最終更新日: 2024-11-13)

主引用文献

Corte, J.R.,Fang, T.,Hangeland, J.J.,Friends, T.J.,Rendina, A.R.,Luettgen, J.M.,Bozarth, J.M.,Barbera, F.A.,Rossi, K.A.,Wei, A.,Ramamurthy, V.,Morin, P.E.,Seiffert, D.A.,Wexler, R.R.,Quan, M.L.
Pyridine and pyridinone-based factor XIa inhibitors.
Bioorg.Med.Chem.Lett., 25:925-930, 2015

PubMed Abstract: The structure-activity relationships (SAR) of six-membered ring replacements for the imidazole ring scaffold is described. This work led to the discovery of the potent and selective pyridine (S)-23 and pyridinone (±)-24 factor XIa inhibitors. SAR and X-ray crystal structure data highlight the key differences between imidazole and six-membered ring analogs.

PubMed: 25592713
DOI: 10.1016/j.bmcl.2014.12.050

実験手法

X-RAY DIFFRACTION (2.6 Å)