Skip to main content
. Author manuscript; available in PMC: 2010 May 22.
Published in final edited form as: J Chem Inf Model. 2009 May;49(5):1272. doi: 10.1021/ci900068k

Figure 5.

Figure 5

Many top XP-ranked compounds were not considered for purchase owing to ligand strain stemming from twisted ester and amide linkages or overly short intramolecular contacts. In the serial screen, the illustrated compound ranked first for both the 2be2 and 1jla receptors, and it ranked third for the 1rt4 structure.