Figure 2. Docking and kinetics data of ESE-15-ol.

Docking of compound 10 into a mimic of CAIX (A) and the wild-type isoform of CAIX (B) revealed that the double bond of ESE-15-ol at C15 and C16 may act as a nucleophile and interact with the electrophilic hydrogen of His 61. This interaction is posited to be specific of ESE-15-ol over 2EE and explain the isoform specificity of ESE-15-ol towards the CAIX mimic over CAII. Kinetics data (C) demonstrates that ESE-15-ol has an almost 2-fold higher affinity for the CAIX mimic when compared to the wild-type CAII. ^a Experimental inhibition constants were determined by Sippel et al. (2011) [35]. ^b The inhibition of the catalyzed exchange of ¹⁸O between CO₂ and water as measured by membrane-inlet mass spectrometry was used to determine the experimental inhibition constants (K_i) of ESE-15-ol [16]. A CA IX mimic was used as characterized previously by Genis et al. 2009 [15].