Table 3.

The best free binding energies calculated values (EFEB) and root-mean-square deviation of atomic positions (rmsd l.b. & u.b.) of PDB ligands, luteolin 5-methyl (1) ether and cirsilineol (2) for four various Homo sapiens aryl hydrocarbon receptor

AhR receptor	PDB ligand			luteolin 5-methyl			cirsilineol
	EFEB (kcal/mol)	rmsd l.b.	rmsd u.b.	EFEB (kcal/mol)	rmsd l.b.	rmsd u.b.	EFEB (kcal/mol)	rmsd l.b.	rmsd u.b.
5UFP	-7.0	0.000	0.000	-6.3	0.880	2.030	-6.8	1.436	2.132
5TBM	-10.2	0.000	0.000	-6.3	0.988	2.082	-7.5	1.150	2.570
4XT2	-9.0	0.000	0.000	-6.7	1.018	2.112	-7.3	1.133	2.422
3H82	-7.1	0.000	0.000	-6.3	1.071	2.149	-7.1	1.854	1.871