Table 10. Interaction Index for the Active Compounds—Aromatase Enzyme Complex.

compound	ligand moiety	residue	interaction type, count
4i	NO2 group of the phenyl ring	Ar192	1 salt bridge
	phenyl ring	Arg192	1 π–cation interaction
	NO2 group of the phenyl ring	Gln218	1 H-bond
	phenyl ring	Phe221	1 π–π stacking
	N1H of hydrazone	Phe221	1 Ar H-bond
	NO2 group of the phenyl ring	Asp222	1 salt bridge
	C5H of the phenyl ring	Asp309	1 Ar H-bond
	methoxy group of the quinoline ring	Met374	1 H-bond
	phenyl ring	His480	1 π–π stacking
	NO2 group of the phenyl ring	His480	1 Ar H-bond
	quinoline ring	HEM600	5 π–π stackings
4j	quinoline ring	Ar115	1 π–cation interaction
	phenyl ring	Trp224	1 π–π stacking
	N1 of hydrazone	Met374	1 H-bond
	quinoline ring	HEM600	4 π–π stackings
4k	phenyl ring	Arg192	1 π–cation interaction
	phenyl ring	Phe221	1 π–π stacking
	NH of the thiazole ring	Asp309	1 H-bond
	C5H of the phenyl ring	Asp309	1 Ar H-bond
	methoxy group of the quinoline ring	Met374	1 H-bond
	phenyl ring	His480	1 π–π stacking
	NO2 group of the phenyl ring	His480	1 Ar H-bond
	quinoline ring	HEM600	4 π–π stackings
4l	pyridine ring	Trp224	1 π–π stacking
	C5H of the pyridine ring	Asp309	1 Ar H-bond
	N1H of hydrazone	Leu372	1 H-bond
	C2H of the pyridine ring	Ser478	1 Ar H-bond
	quinoline ring	HEM600	3 π–π stackings