3UDL

3-heterocyclyl quinolone bound to HCV NS5B

Summary for 3UDL

• Entry DOI: 10.2210/pdb3udl/pdb
• Descriptor: HCV NS5B polymerase, 3-(5-benzyl-1,2,4-oxadiazol-3-yl)-6-fluoro-1-[2-fluoro-4-(trifluoromethyl)benzyl]-7-(4-methylpiperazin-1-yl)quinolin-4(1H)-one (3 entities in total)
• Functional Keywords: hcv, polymerase, drug design, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Hepatitis C virus subtype 1b
• Total number of polymer chains: 4
• Total formula weight: 258796.11

Authors

Somoza, J.R. (deposition date: 2011-10-28, release date: 2011-12-21)

• Primary citation: Kumar, D.V.,Rai, R.,Brameld, K.A.,Somoza, J.R.,Rajagopalan, R.,Janc, J.W.,Xia, Y.M.,Ton, T.L.,Shaghafi, M.B.,Hu, H.,Lehoux, I.,To, N.,Young, W.B.,Green, M.J.; Quinolones as HCV NS5B polymerase inhibitors.; Bioorg.Med.Chem.Lett., 21:82-87, 2011; PubMed: 21145235; DOI: 10.1016/j.bmcl.2010.11.068

Experimental method

X-RAY DIFFRACTION (2.174 Å)