Figure 7: Docked poses of H3 with the most potent virtual hits (A), docking poses of H3 with 29 and (B) H3 with 166. The ribbon color coding of TMs 1 to 7 is dark orange, pink, red, purple, dark red, orange and light yellow, respectively, with ICLs and ECLs in dark green. The ligand carbon atoms are shown in green and those of H3 in yellow. Nitrogen atoms are shown in blue, oxygen in red, sulfur in yellow and fluorine in light green. Interactions with key residues are indicated by black dotted lines and the surface of the binding sites are shown in pink and clipped to allow a better view of the four sub- pockets.