4tn2: Difference between revisions
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<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> | <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> | </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://pdbe.org/4tn2 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4tn2 RCSB], [http://www.ebi.ac.uk/pdbsum/4tn2 PDBsum]</span></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://pdbe.org/4tn2 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4tn2 RCSB], [http://www.ebi.ac.uk/pdbsum/4tn2 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4tn2 ProSAT]</span></td></tr> | ||
</table> | </table> | ||
<div style="background-color:#fffaf0;"> | <div style="background-color:#fffaf0;"> | ||
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<div class="pdbe-citations 4tn2" style="background-color:#fffaf0;"></div> | <div class="pdbe-citations 4tn2" style="background-color:#fffaf0;"></div> | ||
== References == | == References == | ||
<references/> | <references/> | ||
Revision as of 12:15, 22 November 2017
NS5b in complex with lactam-thiophene carboxylic acidsNS5b in complex with lactam-thiophene carboxylic acids
Structural highlights
Publication Abstract from PubMedHerein 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[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. References
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