Table 2.

Interaction mode details of the compounds 11j, 11i, and 11f.

Compound	Interaction	Interacting unit of the ligand	Amino acid
11j	π-anion	Phthalimide	Glu304
	Hydrophobic	Phthalimide	Pro309
	Hydrophobic	Phthalimide	Pro309
	H-bond	O atom of phenoxy	Asn241
	π-cation	Phenyl ring of phenoxy	His279
	H-bond	1,2,3-Triazole	His239
	π-cation	1,2,3-Triazole	His239
	H-bond	C = O unit of acetamide	Arg312
	Hydrophobic	4-Br of N-phenylacetamide	Phe158
	Hydrophobic	Phenyl ring of N-phenylacetamide	Arg312
11i	Hydrophobic	Phthalimide	Val305
	Hydrophobic	Phthalimide	Pro309
	Hydrophobic	Phenyl ring of phenoxy	Pro309
	H-bond	1,2,3-Triazole	Asn241
	π-cation	1,2,3-Triazole	His279
	Hydrophobic	1,2,3-Triazole	His239
	Non-classical H-bond	C = O unit of acetamide	Phe157
	H-bond	NH unit of acetamide	Phe157
	Hydrophobic	2-Cl of N-phenylacetamide	Phe311
	Hydrophobic	2-Cl of N-phenylacetamide	Tyr313
	Hydrophobic	2-Cl of N-phenylacetamide	Arg312
	Hydrophobic	6-Cl of N-phenylacetamide	Phe157
	π-anion	Phenyl ring of N-phenylacetamide	Asp408
	Hydrophobic	Phenyl ring of N-phenylacetamide	Arg312
11f.	Hydrophobic	Phthalimide	Pro309
	Hydrophobic	Phthalimide	Pro309
	π-anion	Phenyl ring of phenoxy	Glu304
	Non-classical H-bond	1,2,3-Triazole	Phe311
	Non-classical H-bond	1,2,3-Triazole	Arg312
	H-bond	C=O unit of acetamide	Asn241
	Unfavorable	C=O unit of acetamide	Asp408
	H-bond	NH unit of acetamide	Asp408
	H-bond	NH unit of acetamide	Phe157