Table 2.

The types of binding interactions, distance of bonds and atoms involved in interactions.

Compounds	Binding interactions
	Ligand Atom	Receptor Atom	Interaction Type	Distance (Å)
5b	O26	GLY122	H-bond	2.82
	phenyl ring	TRP86	π-π T-shaped & π-sulfur	6.23 & 4.34
	Cl11	TYR337	π-lone pair	2.80
	S16	TRP439	π-sulfur	4.68
	N20	GLU452	Attractive charges	4.93
	S16	TYR449	π-sulfur	5.86
5d	N20	GLU452	salt bridge	2.69
	N20	TYR449	π-cation	4.78
	S16, phenyl ring & N20	TRP86	H-bond, π-π T-shaped & π-cation	3.30, 5.43 & 5.26
	Cl11	TRP439	π-alkyl	5.43
	Methyl & Cl11	TYR337	π-alkyl	5.14 & 3.32
	Methyl	TYR124	π-alkyl	5.37
	Methyl	TYR341	π-alkyl	3.76
Hup W	O1	GLY122	H-bond	2.96
	O1	SER203	H-bond	2.33
	Quinoline ring	TRP86	π-π Stacked & π-alkyl	4.41, 5.30, 4.00, 3.69 & 4.18, 4.87
	Cl1	PRO446	Alkyl	4.52
	Cl1	TYR337	π-π Stacked & π-alkyl, π-donor	4.47, 2.54 & 4.45, 4.01
	Cl1	MET443	Alkyl	4.89
	Cl1	TRP439	π-alkyl	3.46 & 3.80
	Cl1	TYR449	π-alkyl	5.38