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Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
Compound 37 docked in the binding site of ATX using covalent docking. The covalent bond between the oxygen atom of Thr209 and the boron atom of boronate is labelled in green (d(O–B) = 1.48 Å).