3hhk | pdb_00003hhk

HCV NS5b polymerase complex with a substituted benzothiadizine

spinqualitylabelsall models 3hhk, resolution 1.70Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 3hhk is a 2 chain structure with sequence from Hepatitis c virus subtype 1b. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: 77Z Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Publication Abstract from PubMed The synthesis and optimisation of HCV NS5B polymerase inhibitors with improved potency versus the existing compound 1 is described. Substitution in the benzothiadiazine portion of the molecule, furnishing improvement in potency in the high protein Replicon assay, is highlighted, culminating in the discovery of 12h, a highly potent oxyacetamide derivative. Substituted benzothiadizine inhibitors of Hepatitis C virus polymerase.,Shaw AN, Tedesco R, Bambal R, Chai D, Concha NO, Darcy MG, Dhanak D, Duffy KJ, Fitch DM, Gates A, Johnston VK, Keenan RM, Lin-Goerke J, Liu N, Sarisky RT, Wiggall KJ, Zimmerman MN Bioorg Med Chem Lett. 2009 Aug 1;19(15):4350-3. Epub 2009 May 28. PMID:19515564 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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