4tn2

NS5b in complex with lactam-thiophene carboxylic acidsNS5b in complex with lactam-thiophene carboxylic acids

Structural highlights 4tn2 is a 1 chain structure with sequence from Hepatitis b virus. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum 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 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also RNA-directed RNA polymerase

spinqualitylabelsall models 4tn2, resolution 2.70Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image