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2a4q

From Proteopedia

Revision as of 14:23, 21 February 2008 by OCA (Talk | contribs)
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Image:2a4q.gif

2a4q, resolution 2.45Å

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

Overview

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.

About this Structure

2A4Q is a Protein complex structure of sequences from Hepatitis c virus with , and as ligands. Full crystallographic information is available from OCA.

Reference

Synthesis and biological activity of macrocyclic inhibitors of hepatitis C virus (HCV) NS3 protease., Chen KX, Njoroge FG, Prongay A, Pichardo J, Madison V, Girijavallabhan V, Bioorg Med Chem Lett. 2005 Oct 15;15(20):4475-8. PMID:16112859

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