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. Author manuscript; available in PMC: 2013 Aug 29.
Published in final edited form as: J Chem Inf Model. 2012 Jun 25;52(7):1886–1897. doi: 10.1021/ci300121p

Figure 6.

Figure 6

Figure 6

(a) Ligand-receptor interaction diagram of methylquinoline urea compound NSC 12155 cocrystallized with the anthrax toxin lethal factor (1PWP.pdb46) (MOE 2010.10). (b) Additional ligand-receptor interaction map of NSC 12155 bound to LF (1PWP.pdb46) (PoseViewWeb66). (c) Preliminary LF inhibitor pharmacophore model UA3 derived from the published hypothesis of Panchal et al. 46 and modified based on enzyme-inhibitor interactions observed in the 1PWP.pdb X-ray structure; yellow spheres = aromatic centers (visualized in MOE 2010.10).