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. Author manuscript; available in PMC: 2021 May 13.
Published in final edited form as: J Comput Aided Mol Des. 2011 Sep 9;25(9):873–883. doi: 10.1007/s10822-011-9469-2

Fig. 5.

Fig. 5

Best docking poses of 35 6-hydroxybenzofuran-5-carboxylic acid-derived ligands in the closed (a) and open (b) LYP conformation. Interactions outside the catalytic side include residues Lys32, Lys61, and Lys136