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. Author manuscript; available in PMC: 2010 Jul 14.
Published in final edited form as: ACS Med Chem Lett. 2010 Apr 8;1(1):9–13. doi: 10.1021/ml900005b

Figure 4.

Figure 4

Ligand interaction maps for compound 3 docked in the reactive conformation (A) and crystal structure (B). Superposed renderings of the top-ranked docking positions of compound 3 in the reactive conformation (C) and crystal structure (D).