Table 2. Docking results of 4d, 4f, 5c, 5d and 7b with receptor of 4k9g.

cmpd	ligand moiety	receptor site	interacting residues (type of interaction)	distance (Å)	E (kcal/mol)	docking score (kcal/mol)
4d						–9.3347
4f	S 1	NE2 HIS 62 (B)	H-acceptor	3.33	–1.2	–8.2076
	O 45	NE2 HIS 62 (A)	H-acceptor	3.06	–3.1
5c						–8.0733
5d	O 54	ND2 ASN 97 (A)	H-acceptor	3.27	–2.2	–9.4430
7b	O 37	NE2 HIS 62 (C)	H-acceptor	2.76	–6.0	–8.8233