Purin-6-One Derivatives as Phosphodiesterase-2 Inhibitors

Table 2

Calculated binding free energies in comparison with available experimental data (all in kcal/mol).

Compound		IC50 (M)
2j	−9.11	1.731	−7.8
2p	−9.80	0.184	−9.2
2q	−8.85	3.427	−7.4

Binding free energies predicted by AUTODOCK.
Binding free energies derived from the experimental IC₅₀ values.