Table 1.

Ensemble docking results of compounds 3b, 3e, 3d and donepezil. The top-scored result of each compound is given for the AChE conformation that provided the best docking score according to the Glide XP scoring function (given in kcal/mol).

Compounds	Ensemble Docking				Top-Scored
	1ZGC	1Q84	2CKM	4EY7	Score	PDB ID
3b	−10.67	−9.63	−8.19	−10.69	−10.69/−10.67	4EY7/1ZGC
3d	−8.79	−9.15	−8.47	−8.83	−9.15	1Q84
3e	−10.20	−9.39	−8.10	−8.78	−10.20	1ZGC
Donepezil	−11.14	−10.06	−12.57	−17.94	−17.94	4EY7