HCV NS5B polymerase inhibitors: Tri-substituted acylhydrazines as tertiary amide bioisosteresHCV NS5B polymerase inhibitors: Tri-substituted acylhydrazines as tertiary amide bioisosteres

Structural highlights

4eo6 is a 2 chain structure with sequence from Viruses. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Ligands:
Related:4eo8
Gene:NS5B (Viruses)
Activity:RNA-directed RNA polymerase, with EC number 2.7.7.48
Resources:FirstGlance, OCA, RCSB, PDBsum

Publication Abstract from PubMed

The use of a tri-substituted acylhydrazine as an isostere of a tertiary amide was explored in a series of HCV NS5B thumb site II inhibitors. Direct replacement generated an analog with similar conformational and physicochemical properties. The series was extended to produce compounds with potent binding affinities and encouraging levels of cellular potency.

Tri-substituted acylhydrazines as tertiary amide bioisosteres: HCV NS5B polymerase inhibitors.,Canales E, Carlson JS, Appleby T, Fenaux M, Lee J, Tian Y, Tirunagari N, Wong M, Watkins WJ Bioorg Med Chem Lett. 2012 Jul 1;22(13):4288-92. Epub 2012 May 17. PMID:22664130[1]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

See Also

References

  1. Canales E, Carlson JS, Appleby T, Fenaux M, Lee J, Tian Y, Tirunagari N, Wong M, Watkins WJ. Tri-substituted acylhydrazines as tertiary amide bioisosteres: HCV NS5B polymerase inhibitors. Bioorg Med Chem Lett. 2012 Jul 1;22(13):4288-92. Epub 2012 May 17. PMID:22664130 doi:10.1016/j.bmcl.2012.05.025

4eo6, resolution 1.79Å

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