Carborane-Based Carbonic Anhydrase Inhibitors: Insight into CAII/CAIX Specificity from a High-Resolution Crystal Structure, Modeling, and Quantum Chemical Calculations

<table>Interactions of<b> 1</b> with the CAIX active site. Atoms making contacts with the carborane and linker moiety of<b> 1</b> are highlighted in magenta. Atoms involved in contacts with the sulfonamide groups are not highlighted. Superposition of the binding pose of<b> 1</b> in CAII is shown as black lines. Superposition is based on the best fit for C<i>α</i> atoms of all residues of CAII onto CAIX.</table>

BioMed Research International

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Figure 4

Figure 4: Carborane-Based Carbonic Anhydrase Inhibitors: Insight into CAII/CAIX Specificity from a High-Resolution Crystal Structure, Modeling, and Quantum Chemical Calculations 

Figure 4 | Carborane-Based Carbonic Anhydrase Inhibitors: Insight into CAII/CAIX Specificity from a High-Resolution Crystal Structure, Modeling, and Quantum Chemical Calculations 