FIG. 4.

The best leads define a single pharmacophore. Shown is a 7-feature pharmacophore model overlaid on the structural alignment of CB11 and CB12. Consensus physicochemical features are represented as spheroids where the smaller diameter indicates more concise overlap. CB11 is shown in green and CB12 in gray. Features with proton donor properties are colored blue, donor in purple, and hydrophobic in brown. Seven total features with tight volumes were identified, with the maximum distance between features being 9.7 Å. The physicochemical features are represented by 2 proton acceptors, 2 aromatics (Aro), 1 hydrophobic (Hyd), 1 mixed proton donor (Don)/hydrophobic, and a mixed hydrophobic/proton acceptor (Acc) feature.