Skip to main content
. Author manuscript; available in PMC: 2011 Apr 26.
Published in final edited form as: J Med Chem. 2008 Jul 17;51(15):4456–4464. doi: 10.1021/jm800481q

Figure 1.

Figure 1

Novel AC inhibitors developed based on the CE binding site. (a) Chemical structure of the noncompetitive AC inhibitor 1. (b) Crystal structure of the active site of CyaC in complex with a substrate analogue and the inhibitor 1. The catechol moiety of the inhibitor chelates the active site magnesium ion A and removes it from its normal position. This figure was reproduced from ref 25. (c) Chemical structures of the novel AC inhibitors 2 and 3 identified through docking calculations with the 1 binding pocket of CyaC, followed by in vitro activity assays.