| Structural highlights
4ju3 is a 2 chain structure with sequence from Hcv. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
| | Ligands: | , |
| Related: | 3mwv, 4jty, 4jtz, 4ju1, 4ju2, 4jtw, 4ju4, 4ju6, 4ju7, 4jvq, 4jy0, 4jy1 |
| Gene: | NS5B (HCV) |
| Resources: | FirstGlance, OCA, RCSB, PDBsum |
Publication Abstract from PubMed
Optimization efforts on the anthranilic acid-based Thumb Pocket 2 HCV NS5B polymerase inhibitors 1 and 2 resulted in the identification of multiple structural elements that contributed to improved cell culture potency. The additive effect of these elements resulted in compound 46, an inhibitor with enzymatic (IC50) and cell culture (EC50) potencies of less than 100nanomolar.
Anthranilic acid-based Thumb Pocket 2 HCV NS5B polymerase inhibitors with sub-micromolar potency in the cell-based replicon assay.,Stammers TA, Coulombe R, Duplessis M, Fazal G, Gagnon A, Garneau M, Goulet S, Jakalian A, Laplante S, Rancourt J, Thavonekham B, Wernic D, Kukolj G, Beaulieu PL Bioorg Med Chem Lett. 2013 Oct 8. pii: S0960-894X(13)01191-8. doi:, 10.1016/j.bmcl.2013.09.102. PMID:24176401[1]
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.
References
- ↑ Stammers TA, Coulombe R, Duplessis M, Fazal G, Gagnon A, Garneau M, Goulet S, Jakalian A, Laplante S, Rancourt J, Thavonekham B, Wernic D, Kukolj G, Beaulieu PL. Anthranilic acid-based Thumb Pocket 2 HCV NS5B polymerase inhibitors with sub-micromolar potency in the cell-based replicon assay. Bioorg Med Chem Lett. 2013 Oct 8. pii: S0960-894X(13)01191-8. doi:, 10.1016/j.bmcl.2013.09.102. PMID:24176401 doi:http://dx.doi.org/10.1016/j.bmcl.2013.09.102
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