For a comparison of the pocket properties of the two chosen targets, binding pocket properties were computed with Schrödinger SiteMap. The prepared GAK structure was directly subjected to SiteMap analysis, using only the site defined by the crystallographic ligand. SiteMap was run with default parameters (at least 15 site points per site, a more restrictive definition of hydrophobicity, standard grid and cropping at 4 Å from the nearest site point).