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. Author manuscript; available in PMC: 2008 Dec 13.
Published in final edited form as: J Med Chem. 2006 Mar 23;49(6):1939–1945. doi: 10.1021/jm0511583

Figure 4.

Figure 4

The two predominant binding modes of 8 (yellow) to MD snapshots of IN core domain. Residues lining the ligand position are highlighted. The metal ion is represented as magenta sphere.