. Author manuscript; available in PMC: 2008 Sep 15.

Published in final edited form as: Bioorg Med Chem. 2007 Jun 27;15(18):6071–6079. doi: 10.1016/j.bmc.2007.06.042

Table 2.

In Silico Binding Energies and Binding Clustering of Target Compounds

Compound	Percent binding clustering (AutoDock)	Binding energy (AutoDock, in kcal/mol)	Percent binding clustering (Glide)	Binding energy (Glide, in kcal/mol)
2b	93	−11.0	44	−7.9
3	4	−9.8	3	−8.9
4	96	−10.2	76	−9.9
5	92	−10.7	44	−8.5
11	2	−11.2	2	−7.6
12	33	−7.0	2	−3.2
13	2	−10.3	2	−8.7
14	2	−10.6	2	−7.5