2A4Q

HCV NS3 protease with NS4a peptide and a covalently bound macrocyclic ketoamide compound.

2A4Q の概要

• エントリーDOI: 10.2210/pdb2a4q/pdb
• 関連するPDBエントリー: 1A1R 1JXP 1N1L 1NS3 1RTL 2A4G
• 分子名称: NS3 protease/helicase', NS4a peptide, ZINC ION, ... (6 entities in total)
• 機能のキーワード: viral protein
• 由来する生物種: Hepatitis C virus; 詳細
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 48209.38

構造登録者

Chen, K.X.,Njoroge, F.G.,Prongay, A.,Pichardo, J.,Madison, V.,Girijavallabhan, V. (登録日: 2005-06-29, 公開日: 2006-07-04, 最終更新日: 2021-10-20)

主引用文献

Chen, K.X.,Njoroge, F.G.,Prongay, A.,Pichardo, J.,Madison, V.,Girijavallabhan, V.
Synthesis and Biological Activity of Macrocyclic Inhibitors of Hepatitis C Virus (HCV) NS3 Protease
Bioorg.Med.Chem.Lett., 15:4475-4478, 2005

PubMed Abstract: The 17-membered phenylalanine-based macrocycle 6 was prepared starting from 3-iodo-phenylalanine. Macrocyclization of alkene phenyl iodide 5 was effected through a palladium-catalyzed Heck reaction. The macrocyclic alpha-ketoamides were active inhibitors of the HCV NS3 protease, with the C-terminal acids and amides being more potent than tert-butyl esters.

PubMed: 16112859
DOI: 10.1016/j.bmcl.2005.07.033

実験手法

X-RAY DIFFRACTION (2.45 Å)