Table 1.

Hydrophobic interactions of imidazoles (1a, 3a-i).

Imidazole	Binding affinity (kcal/mol)	Index	Residue	AA	Distance (Å)	Ligand atom	Protein atom
1a	-2.5	-	-	-	-	-	-
3a	-4.1	1	41A	PHE	3.68	1697	247
3b	-3.7	1	36A	THR	3.77	1694	218
		2	41A	PHE	3.78	1686	250
3c	-3.8	1	36A	THR	3.57	1699	218
		2	41A	PHE	3.72	1695	252
		3	41A	PHE	3.54	1697	250
3d	-3.7	1	36A	THR	3.66	1699	218
		2	41A	PHE	3.74	1695	252
		3	41A	PHE	3.60	1697	250
3e	-4.2	1	36A	THR	3.61	1694	218
		2	41A	PHE	3.63	1697	252
		3	41A	PHE	3.61	1695	250
3f	-3.9	1	8A	VAL	3.61	1701	20
		2	36A	THR	3.84	1700	218
3g	-3.0	1	36A	THR	3.72	1695	218
		2	41A	PHE	3.60	1693	252
3h	-2.8	1	34A	ASN	3.82	1695	203
		2	41A	PHE	3.69	1695	250
3i	-3.0	1	41A	PHE	3.72	1695	248