Table 5. Interactions of FA and FAM with the Targeted Protein.

protein (amino acids)	ligand	interaction type	bond distance (Å)
FA
A:TYR 55	oxygen	conventional hydrogen bond	2.54
A:TYR 216	hydrogen	conventional hydrogen bond	2.93
A:ASN 167	hydrogen	halogen (fluorine)	3.35
A:ASN 167	hydrogen	halogen (fluorine)	3.14
A:ASN 167	π ring of trifluoromethyl	π-donor hydrogen bond	3.98
A:TYR24	oxygen	π-anion	4.65
A:TYR24	π ring of benzoic acid	π-anion	5.16
A:PHE 311	π ring of trifluoro-methyl aniline	π-π stacked	4.92
A:PHE 306	π ring of trifluoro-methyl aniline	π-π stacked	5.97
A:PHE 306	π ring of benzoic acid	π-π stacked	5.02
A:TRP 227	π ring of benzoic acid	alkyl	4.51
A:LEU 54	π ring of benzoic acid	π-alkyl	5.17
FAM
A:LEU 268		van der Waals
A:HIS 117	π ring of trifluoro-methyl aniline	attractive charge	4.55
A:TYR 55	oxygen	conventional hydrogen bond	2.18
A:TYR 23	oxygen	conventional hydrogen bond	2.44
A:TYR 24	oxygen	conventional hydrogen bond	1.97
A:LYS 84	oxygen	π-cation	4.13
A:GLN 222	π ring of benzoic acid	π-donor hydrogen bond	3.01
A:TYR 55	π ring of trifluoro-methyl aniline	π-π stacked	5.45
A:TYR:24	π ring of benzoic acid	π-π T-shaped	5.95
A:TYR 24	π ring of trifluoro-methyl aniline	π-π T-shaped	5.30
A:TYR 24	carbon	alkyl	4.16
A:TRP 227	carbon	alkyl	4.35
A:LEU 54	carbon	alkyl	4.89
A:LYS 270	π ring of benzoic acid	π-alkyl	5.31