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. Author manuscript; available in PMC: 2010 Nov 1.
Published in final edited form as: Bioorg Med Chem. 2009 Sep 18;17(21):7457–7464. doi: 10.1016/j.bmc.2009.09.022

Table 2.

Distances from compounds to key residues (Ǻ). Residues selected based on interactions with pharmacophoric features in Compound 5.

Compound Percent inhibiton at 10μM Residues
W25 K95 R3.28 R7.36
Compound 11 NE 5.20 2.84 3.85 5.56
Compound 5 10 3.81 2.91 2.31 2.26
Compound 10 42 9.35 2.28 2.29 2.28
Compound 9 43 10.17 2.39 3.25 2.33
Compound 12 62 4.28 2.29 2.36 2.46
Comopund 20 82 4.10 2.45 2.38 2.29

Hydrophobic interactions    underlined

Polar interactions    bold

Ionic Interactions    itacilized