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. Author manuscript; available in PMC: 2011 Sep 1.
Published in final edited form as: J Med Chem. 2006 Jan 12;49(1):27–30. doi: 10.1021/jm050892j

Figure 2.

Figure 2

Superimpositions of docked conformers used for CoMFA studies. In (A), the structures of the compounds for the training set are displayed, with the compound highlighted in green being compound 1 (whose coordinates are from the PDB_ID 1ZXV). In (B), the aligned structures for the compounds in the test sets are displayed. (C) Calculated versus observed pIC50 values against LF for the compounds in the training set (q2 = 0.51, r2 = 0.98, # components = 4, # compounds = 17). (D) Predicted versus observed pIC50 values against LF for the 10 compounds in the test set.