Figure 10.
Examples of the two main docked poses generated using flexible ligand docking of bicyclic alcohol 5 into a (α4)3(β2)2 homology model of the closed channel. The backbones of the M2 helices are shown as ribbons. The side-chains of residues 6′ and 13′ are highlighted, but all others have been removed for clarity. The left-hand panels show the docked pose as seen looking from the extracellular domain, down through the receptor pore. The right-hand panels are the same poses from the side, but with the closest β2 subunit removed so that the ligand can be more clearly viewed. Bicyclic alcohol 5 is shown in CPK.