3hhk: Difference between revisions
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==HCV NS5b polymerase complex with a substituted benzothiadizine== | |||
<StructureSection load='3hhk' size='340' side='right' caption='[[3hhk]], [[Resolution|resolution]] 1.70Å' scene=''> | |||
{ | == Structural highlights == | ||
<table><tr><td colspan='2'>[[3hhk]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Hepatitis_c_virus_subtype_1b Hepatitis c virus subtype 1b]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3HHK OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3HHK FirstGlance]. <br> | |||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=77Z:2-({(3R)-3-[(3S)-1-(3-METHYLBUTYL)-2,4-DIOXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL]-1,1-DIOXIDO-3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZIN-7-YL}OXY)ACETAMIDE'>77Z</scene></td></tr> | |||
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3hhk FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3hhk OCA], [http://www.rcsb.org/pdb/explore.do?structureId=3hhk RCSB], [http://www.ebi.ac.uk/pdbsum/3hhk PDBsum]</span></td></tr> | |||
</table> | |||
<div style="background-color:#fffaf0;"> | |||
== Publication Abstract from PubMed == | |||
The synthesis and optimisation of HCV NS5B polymerase inhibitors with improved potency versus the existing compound 1 is described. Substitution in the benzothiadiazine portion of the molecule, furnishing improvement in potency in the high protein Replicon assay, is highlighted, culminating in the discovery of 12h, a highly potent oxyacetamide derivative. | |||
Substituted benzothiadizine inhibitors of Hepatitis C virus polymerase.,Shaw AN, Tedesco R, Bambal R, Chai D, Concha NO, Darcy MG, Dhanak D, Duffy KJ, Fitch DM, Gates A, Johnston VK, Keenan RM, Lin-Goerke J, Liu N, Sarisky RT, Wiggall KJ, Zimmerman MN Bioorg Med Chem Lett. 2009 Aug 1;19(15):4350-3. Epub 2009 May 28. PMID:19515564<ref>PMID:19515564</ref> | |||
== | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
< | </div> | ||
== References == | |||
<references/> | |||
__TOC__ | |||
</StructureSection> | |||
[[Category: Hepatitis c virus subtype 1b]] | [[Category: Hepatitis c virus subtype 1b]] | ||
[[Category: Concha, N O | [[Category: Concha, N O]] | ||
[[Category: Singh, O | [[Category: Singh, O]] | ||
[[Category: Atp-binding]] | [[Category: Atp-binding]] | ||
[[Category: Envelope protein]] | [[Category: Envelope protein]] | ||
Revision as of 06:17, 18 December 2014
HCV NS5b polymerase complex with a substituted benzothiadizine
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