Table 1. Estimated binding parameters for compounds 3–7 calculated using AutoDock.

Compound	3	4	5	6	7
Estimated binding energy/kcal mol–1	–9.34	–7.06	–7.22	–8.44	–11.31
Estimated inhibition constant	142.90 nM	6.64 μM	645.27 nM	645.27 nM	5.14 nM
Electrostatic energy/kcal mol–1	–11.92	–10.87	–12.10	–12.10	–14.04
Ligand efficiency	–0.11	–0.08	–0.10	–0.10	–0.13
Number of hydrogen bonds	2	2	1	1	5