Docking interactions between amino acid residues, water molecules with the co-crystal ligand and significantly active compound.

S. no.	Code	Hydrogen-bond	Aromatic bond	π–π interactions	Glide score (kcal mol−1)	Glide energy (kcal mol−1)
1	Co-crystal ligand (FG-2), (PDB 3IUB)	MET-40, HIS-47, VAL-187, H2O bonds (6)	HIS-47, GLN-164, MET-195	HIS-44 (π–π stacking)	−9.6	−70.6
2	6k	H2O	THR-276	ARG-198	−2.3	−32.10