4ju6 | pdb_00004ju6

Crystal structure of hcv ns5b polymerase in complex with compound 24

spinqualitylabelsall models 4ju6, resolution 2.20Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 4ju6 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: 1O6, MG Related: 3mwv, 4jty, 4jtz, 4ju1, 4ju2, 4ju3, 4ju4, 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 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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