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. Author manuscript; available in PMC: 2009 Sep 15.
Published in final edited form as: Bioorg Med Chem Lett. 2008 Aug 14;18(18):4982–4987. doi: 10.1016/j.bmcl.2008.08.022

Table 1.

Docking scores for compound 2 and higher affinity compounds

Compound MMGBSA(kcal/mol) Gscore(kcal/mol)

2 −44.6 −8.1
6c −42.1 −8.6
13 −41.3 −7.1
17 −40.4 −7.9