Figure 7

Protetin-ligand docking of avermectin analogues in the ligand binding pocket of FXR.
(a) A general chemical structure of ivermectin, abamectin and doramectin. (b–d) Left:The structure of FXR bound with ivermectin and the docking structures of the FXR docked with abamectin and doramectin in ribbon representation. Right: Schematic representation of interactions between FXR and avermectin analogues. Hydrogen bonds are indicated by arrows from proton donors to acceptors. The helix 3 of the FXR LBD is highlighted in green, the NCoR-2 motif is in brownish red.