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4tn2
From Proteopedia
(Difference between revisions)
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| - | ''' | + | ==NS5b in complex with lactam-thiophene carboxylic acids== |
| + | <StructureSection load='4tn2' size='340' side='right' caption='[[4tn2]], [[Resolution|resolution]] 2.70Å' scene=''> | ||
| + | == Structural highlights == | ||
| + | <table><tr><td colspan='2'>[[4tn2]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Hepatitis_b_virus Hepatitis b virus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4TN2 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4TN2 FirstGlance]. <br> | ||
| + | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=33J:3-[(2R)-2-CYCLOHEXYL-5-OXOPYRROLIDIN-1-YL]-5-PHENYLTHIOPHENE-2-CARBOXYLIC+ACID'>33J</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=4tn2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4tn2 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4tn2 RCSB], [http://www.ebi.ac.uk/pdbsum/4tn2 PDBsum]</span></td></tr> | ||
| + | </table> | ||
| + | <div style="background-color:#fffaf0;"> | ||
| + | == Publication Abstract from PubMed == | ||
| + | Herein we report the successful incorporation of a lactam as an amide replacement in the design of hepatitis C virus NS5B Site II thiophene carboxylic acid inhibitors. Optimizing potency in a replicon assay and minimizing potential risk for CYP3A4 induction led to the discovery of inhibitor 22a. This lead compound has a favorable pharmacokinetic profile in rats and dogs. | ||
| - | + | Design and synthesis of lactam-thiophene carboxylic acids as potent hepatitis C virus polymerase inhibitors.,Barnes-Seeman D, Boiselle C, Capacci-Daniel C, Chopra R, Hoffmaster K, Jones CT, Kato M, Lin K, Ma S, Pan G, Shu L, Wang J, Whiteman L, Xu M, Zheng R, Fu J Bioorg Med Chem Lett. 2014 Aug 15;24(16):3979-85. doi:, 10.1016/j.bmcl.2014.06.031. Epub 2014 Jun 20. PMID:24986660<ref>PMID:24986660</ref> | |
| - | + | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | |
| - | + | </div> | |
| - | + | == References == | |
| + | <references/> | ||
| + | __TOC__ | ||
| + | </StructureSection> | ||
| + | [[Category: Hepatitis b virus]] | ||
| + | [[Category: Chopra, R]] | ||
| + | [[Category: Complex polymerase inhbitor]] | ||
| + | [[Category: Hydrolase]] | ||
Revision as of 09:04, 5 January 2015
NS5b in complex with lactam-thiophene carboxylic acids
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