4dru | pdb_00004dru

HCV NS5B in complex with macrocyclic INDOLE INHIBITOR

spinqualitylabelsall models 4dru, resolution 2.10Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 4dru is a 2 chain structure with sequence from Hepatitis c virus. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: 0LN, GOL, SO4 Activity: RNA-directed RNA polymerase, with EC number 2.7.7.48 Resources: FirstGlance, OCA, RCSB, PDBsum Publication Abstract from PubMed The concept of drug-likeness distills the physicochemical properties of small-molecule drugs to a set of rules. Macrocyclic drugs are known to break these rules. A structure-based macrocyclization strategy was applied to design new hepatitis C virus NS5B inhibitors with improved pharmocokinetic properties, exemplifying a rational strategy for overcoming the confines of standard "drug-like chemical space". Structure-Based Macrocyclization Yields Hepatitis C Virus NS5B Inhibitors with Improved Binding Affinities and Pharmacokinetic Properties.,Cummings MD, Lin TI, Hu L, Tahri A, McGowan D, Amssoms K, Last S, Devogelaere B, Rouan MC, Vijgen L, Berke JM, Dehertogh P, Fransen E, Cleiren E, van der Helm L, Fanning G, Van Emelen K, Nyanguile O, Simmen K, Raboisson P, Vendeville S Angew Chem Int Ed Engl. 2012 Mar 30. doi: 10.1002/anie.201200110. PMID:22473861 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also RNA polymerase

Proteopedia Page Contributors and Editors (what is this?)

OCA