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. Author manuscript; available in PMC: 2010 Jul 15.
Published in final edited form as: Bioorg Med Chem. 2009 Jun 22;17(14):5027–5037. doi: 10.1016/j.bmc.2009.05.070

Figure 3.

Figure 3

(a) Proposed mode of binding of sulfonyl-triazole compound 1 to VIM-2. VIM-2 is depicted in ribbon form and the two loops that make key interactions with active site binders are indicated. Compound 1 is positioned as a binder of the binuclear zinc cluster through the sulfonyl group and shown as a stick model, with colors as follows: Carbon is yellow, oxygen is red, nitrogen is blue, iodine is purple and sulfur is yellow. The sulfonamide group is surface exposed, whilst the propargyl group (R) buries into a hydrophobic pocket. Highlighted residues are implicated in key binding interactions with compound 1. (b) Click sulfonyl-triazole chemotype identified as selective VIM-2 inhibitors. The chemotype is discussed in text.