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. Author manuscript; available in PMC: 2013 Oct 19.
Published in final edited form as: Bioorg Med Chem Lett. 2012 Apr 13;22(11):3656–3660. doi: 10.1016/j.bmcl.2012.04.034

Figure 3.

Figure 3

Predicted binding mode of compound 4 in the rTRPV1 model with surface representations.

(A) Binding mode of compound 4. The key residues are marked and displayed as capped-stick with carbon atoms in white. The helices are colored in gray and the helices of the adjacent monomer are displayed in line ribbon. Compound 4 is depicted as ball-and-stick with carbon atoms in magenta. The van der Waals surface of the ligand is presented with the lipophilic potential property. Hydrogen bonds are shown in black dashed lines, and non-polar hydrogens are undisplayed for clarity. (B) Surface representations of the docked compound 4 and rTRPV1. The Fast Connolly surface of rTRPV1 was generated by MOLCAD and colored by the lipophilic potential property. The surface of rTRPV1 is Z-clipped, and that of the ligand is in its carbon color for clarity. (C) Van der Waals surface of compound 4 is colored by the lipophilic potential property.