3D structure of the 20 ligands used in docking experiments.

<p>Each ligand is colored by atom type (carbon and hydrogen: light grey; nitrogen: blue; oxygen: red; chloro: green; phosphorus: orange; sulphur: yellow) and displays its name and PDB identification (PDB ID). The dashed circle represents the rotatable bounds selected by AutoDockTools 1.5.6. Ligand Abbreviations: <b>TCL</b>: triclosan; <b>665:</b>(3S) N-(3-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine- 3-carboxamide; <b>566:</b>(3S)-1-cyclohexyl-5-oxo-N-phenyl pyrrolidine-3-carboxamide; <b>8PC:</b> 2-(2,4-dichloro-phenoxy)-5-(pyridin-2-ylmethyl)phenol; <b>JPJ:</b> 2-(2,4-dichlorophenoxy)-5-(2-phenylethyl)phenol; <b>JPL:</b> 5-(cyclohexa-1,5-dien-1-ylmethyl)-2-(2,4-dichlorophenoxy) phenol; <b>JPM:</b> 5-benzyl-2-(2,4-dichloropheno-xy)phenol; <b>468:</b>(3S)-N-(3-chloro-2-methylphenyl)-1-cyclohe xyl-5-oxopyrrolidine-3-carboxamide; <b>641:</b>(3S)-1-cyclohexyl-N-(3,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide; <b>744:</b> (3S)-N-(5-chloro-2-me-thylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide; <b>INH-NAD:</b> Isoniazid + NADH coenzyme; <b>5PP:</b> 5-pentyl-2-phenoxyphenol; <b>8PS:</b> 5-octyl-2-phenoxyphenol; <b>TCU:</b> 5-hexyl-2-(2-methylphenoxy)- phenol; <b>PTH-NAD:</b> Prothionamide + NADH coenzyme; <b>THT:</b> trans-2-hexadecenoyl-(n-acetyl-cys-teamine)- thioester <b>4PI:</b> N-4-methylbenzoyl-4-benzylpiperidine; <b>GEQ:</b> 5-{[4-9H-fluoren-9-YL)pipera- zin-1-YL]carbonyl}-1H-indole.