Published in
Royal Society of Chemistry, Chemical Communications, 2(51), p. 302-305, 2015
DOI: 10.1039/c4cc07320g
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Out of the active site binding pocket for Carbonic Anhydrase inhibitors
Journal article published in 2014 by
Katia D'Ambrosio,
Simone Carradori 
,
Simona Maria Monti,
Monti Sm,
Martina Buonanno,
Daniela Secci,
Daniela Vullo,
Supuran Ct,
Claudiu T. Supuran,
Giuseppina De Simone
,
Simona Maria Monti,
Monti Sm,
Martina Buonanno,
Daniela Secci,
Daniela Vullo,
Supuran Ct,
Claudiu T. Supuran,
Giuseppina De Simone
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Abstract
A structural study of the adduct which 2-benzylsulfinylbenzoic acid forms with human carbonic anhydrase II is reported, showing a binding mode completely different from any other class of carbonic anhydrase inhibitors investigated so far: this carboxylate binds in a pocket situated out of the enzyme active site.