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. Author manuscript; available in PMC: 2015 Jul 1.
Published in final edited form as: Clin Cancer Res. 2014 Apr 29;20(13):3521–3530. doi: 10.1158/1078-0432.CCR-14-0395

Fig. 1. Binding modes of A, amaxapine (yellow); B, 7-hydroxyamoxapine (lime) and8-hydroxyamoxapine (dark green); C, loxapine (orange); D, Inhibitor 2 (pink) from 3LPF; E, Amoxapine and Inhibitor 2 in the same active site; F, Pharmacophore features for Amoxapine and Inhibitor 2.

Fig. 1

The compounds and close contacting residues are shown in sticks. Residues in 5 Å around the ligands depicted the active site are shown in lines. The primary monomer is colored in cyan and bacterial loop from the adjacent monomer is colored in green. The hydrogen bonds are drawn in lime dash lines. In the mode of loxapine, the critical hydrogen bond with E413 is missing. The pharmacophore based on amoxpine and Inhibitor 2 is composed by two aromatic ring features (shown in orange spheres) and hydrogen bond donors pointed to E413 (purple and cyan spheres).