2fvc: Difference between revisions

Revision as of 06:56, 29 July 2008

This article has been automatically seeded. Changes to this page should pertain to the PDB entry only and not to the protein or biomolecule in general.

File:2fvc.png

Template:STRUCTURE 2fvc

Crystal structure of NS5B BK strain (delta 24) in complex with a 3-(1,1-Dioxo-2H-(1,2,4)-benzothiadiazin-3-yl)-4-hydroxy-2(1H)-quinolinoneCrystal structure of NS5B BK strain (delta 24) in complex with a 3-(1,1-Dioxo-2H-(1,2,4)-benzothiadiazin-3-yl)-4-hydroxy-2(1H)-quinolinone

Template:ABSTRACT PUBMED 16451063

About this StructureAbout this Structure

2FVC is a Single protein structure of sequence from Hepatitis c virus subtype 1b. Full crystallographic information is available from OCA.

ReferenceReference

3-(1,1-dioxo-2H-(1,2,4)-benzothiadiazin-3-yl)-4-hydroxy-2(1H)-quinolinones , potent inhibitors of hepatitis C virus RNA-dependent RNA polymerase., Tedesco R, Shaw AN, Bambal R, Chai D, Concha NO, Darcy MG, Dhanak D, Fitch DM, Gates A, Gerhardt WG, Halegoua DL, Han C, Hofmann GA, Johnston VK, Kaura AC, Liu N, Keenan RM, Lin-Goerke J, Sarisky RT, Wiggall KJ, Zimmerman MN, Duffy KJ, J Med Chem. 2006 Feb 9;49(3):971-83. PMID:16451063

Page seeded by OCA on Tue Jul 29 06:56:55 2008

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OCA

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-[[Image:2fvc.jpg|left|200px]]
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 {{STRUCTURE_2fvc|  PDB=2fvc  |  SCENE=  }}
-'''Crystal structure of NS5B BK strain (delta 24) in complex with a 3-(1,1-Dioxo-2H-(1,2,4)-benzothiadiazin-3-yl)-4-hydroxy-2(1H)-quinolinone'''
+===Crystal structure of NS5B BK strain (delta 24) in complex with a 3-(1,1-Dioxo-2H-(1,2,4)-benzothiadiazin-3-yl)-4-hydroxy-2(1H)-quinolinone===
-==Overview==
+<!--
-Recently, we disclosed a new class of HCV polymerase inhibitors discovered through high-throughput screening (HTS) of the GlaxoSmithKline proprietary compound collection. This interesting class of 3-(1,1-dioxo-2H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-2(1H)-quinolinones potently inhibits HCV polymerase enzymatic activity and inhibits the ability of the subgenomic HCV replicon to replicate in Huh-7 cells. This report will focus on the structure-activity relationships (SAR) of substituents on the quinolinone ring, culminating in the discovery of 1-(2-cyclopropylethyl)-3-(1,1-dioxo-2H-1,2,4-benzothiadiazin-3-yl)-6-fluor o-4-hydroxy-2(1H)-quinolinone (130), an inhibitor with excellent potency in biochemical and cellular assays possessing attractive molecular properties for advancement as a clinical candidate. The potential for development and safety assessment profile of compound 130 will also be discussed.
+The line below this paragraph, {{ABSTRACT_PUBMED_16451063}}, adds the Publication Abstract to the page
+(as it appears on PubMed at http://www.pubmed.gov), where 16451063 is the PubMed ID number.
+-->
+{{ABSTRACT_PUBMED_16451063}}
 ==About this Structure==
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 [[Category: Hcv polymerase]]
 [[Category: Thiadiazin inhibitor]]
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