3kn2 | pdb_00003kn2

HCV NS3 Protease Domain with ketoamide inhibitor

spinqualitylabelsall models 3kn2, resolution 2.30Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 3kn2 is a 4 chain structure with sequence from Hepatitis c virus subtype 1a. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: M66, ZN Gene: NS3 (Hepatitis C virus subtype 1a) Resources: FirstGlance, OCA, RCSB, PDBsum Publication Abstract from PubMed SAR studies on the extension of P3 unit of Boceprevir (1, SCH 503034) with amides and lactams and their synthesis is described. Extensive SAR studies resulted in the identification of 36 bearing 4, 4-dimethyl lactam as the new P4 cap unit with improved potency (K(i)( *)=15nM, EC 90=70nM) and pharmacokinetic properties (Rat AUC (PO)=3.52microMh) compared to 1. P4 capped amides and lactams as HCV NS3 protease inhibitors with improved potency and DMPK profile.,Nair LG, Sannigrahi M, Bogen S, Pinto P, Chen KX, Prongay A, Tong X, Cheng KC, Girijavallabhan V, George Njoroge F Bioorg Med Chem Lett. 2010 Jan 15;20(2):567-70. Epub 2009 Nov 22. PMID:20004570 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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