3u4r

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[[Image:3u4r.png|left|200px]]
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==Novel HCV NS5B polymerase Inhibitors: Discovery of Indole C2 Acyl sulfonamides==
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<StructureSection load='3u4r' size='340' side='right' caption='[[3u4r]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[3u4r]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Hcv Hcv]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3U4R OCA]. <br>
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</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=08F:1-[(2-AMINOPYRIDIN-4-YL)METHYL]-5-CHLORO-N-({3-[(METHYLSULFONYL)AMINO]PHENYL}SULFONYL)-3-(2-OXO-1,2-DIHYDROPYRIDIN-3-YL)-1H-INDOLE-2-CARBOXAMIDE'>08F</scene><br>
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<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[3u4o|3u4o]]</td></tr>
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<tr><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">NS5B ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=420174 HCV])</td></tr>
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<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Glucokinase Glucokinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.2 2.7.1.2] </span></td></tr>
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<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3u4r FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3u4r OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3u4r RCSB], [http://www.ebi.ac.uk/pdbsum/3u4r PDBsum]</span></td></tr>
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<table>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Development of SAR at the C2 position of indole lead 1, a palm site inhibitor of HCV NS5B polymerase (NS5B IC(50)=0.053muM, replicon EC(50)=4.8muM), is described. Initial screening identified an acyl sulfonamide moiety as an isostere for the C2 carboxylic acid group. Further SAR investigation resulted in identification of acyl sufonamide analog 7q (NS5B IC(50)=0.039muM, replicon EC(50)=0.011muM) with &gt;100-fold improved replicon activity.
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II. Novel HCV NS5B polymerase inhibitors: Discovery of indole C2 acyl sulfonamides.,Anilkumar GN, Selyutin O, Rosenblum SB, Zeng Q, Jiang Y, Chan TY, Pu H, Wang L, Bennett F, Chen KX, Lesburg CA, Duca J, Gavalas S, Huang Y, Pinto P, Sannigrahi M, Velazquez F, Venkatraman S, Vibulbhan B, Agrawal S, Ferrari E, Jiang CK, Huang HC, Shih NY, George Njoroge F, Kozlowski JA Bioorg Med Chem Lett. 2011 Oct 20. PMID:22104146<ref>PMID:22104146</ref>
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The line below this paragraph, containing "STRUCTURE_3u4r", creates the "Structure Box" on the page.
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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or leave the SCENE parameter empty for the default display.
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{{STRUCTURE_3u4r| PDB=3u4r | SCENE= }}
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===Novel HCV NS5B polymerase Inhibitors: Discovery of Indole C2 Acyl sulfonamides===
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
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</div>
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== References ==
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<references/>
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The line below this paragraph, {{ABSTRACT_PUBMED_22104146}}, adds the Publication Abstract to the page
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__TOC__
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(as it appears on PubMed at http://www.pubmed.gov), where 22104146 is the PubMed ID number.
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</StructureSection>
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[[Category: Hcv]]
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{{ABSTRACT_PUBMED_22104146}}
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==About this Structure==
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[[3u4r]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Hepatitis_c_virus Hepatitis c virus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3U4R OCA].
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==Reference==
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<ref group="xtra">PMID:022104146</ref><references group="xtra"/>
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[[Category: Hepatitis c virus]]
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[[Category: RNA-directed RNA polymerase]]
[[Category: RNA-directed RNA polymerase]]
[[Category: Agrawal, S.]]
[[Category: Agrawal, S.]]

Revision as of 06:49, 14 May 2014

Novel HCV NS5B polymerase Inhibitors: Discovery of Indole C2 Acyl sulfonamides

3u4r, resolution 2.00Å

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