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. Author manuscript; available in PMC: 2012 Dec 27.
Published in final edited form as: J Chem Inf Model. 2011 Dec 7;51(12):3247–3253. doi: 10.1021/ci200371z

Fig. 7.

Fig. 7

The static pharmacophore models utilizing PDB IDs: (a) 2WJ1, (b) 3LJ6, and (c) 3LJ7. Also given is (d) a model resulting from an ensemble of nine unique FAAH-inhibitor complexes. For clarity, excluded volumes for all models are not shown and the elements of the X-ray ensemble model are shown with radii of 1×RMSD. The radii of the aromatic and hydrophobic elements in the static models are 1.5 Å and 1.0 Å for the hydrogen-bond donors and acceptors. Orange spheres require aromatic interactions, green spheres are hydrophobic, red spheres are hydrogen-bond acceptors and blue spheres are hydrogen-bond donors. The catalytic Ser241 is shown in stick representation and the molecular surface, from 2WJ1, 3LJ6 or 3LJ7 appropriately, is shown in gray (Ser241 and the mesh do not represent any feature of the pharmacophore models).