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. Author manuscript; available in PMC: 2011 Feb 25.
Published in final edited form as: J Med Chem. 2010 Feb 25;53(4):1726–1731. doi: 10.1021/jm901519f

Fig. 4.

Fig. 4

Docking of a model compound to the active site of PDE9A. (A) A comparison of the modeled compound (pink bonds) with 1r (green bonds). The binding residues of PDE9A are in the golden color. The dotted lines represent the hydrogen bonds between Gln453 and O4 and N5 of the inhibitors. The small pink ball of the model compound represents a potential substitution group that points towards the open molecular surface and could be varied to obtain the best affinity. (B) Surface presentation of the subpocket for binding of trifluomethyl groups of 1r and 1s. (C) Chemical structure of the model compound.