Fig. 9. Docking poses of compound 3 (CHEMBL566208) in hDAT (top) and hSERT (bottom). In both proteins, the aromatic moiety reaches into the B-site (left; corresponds to cluster 1) and in the C-site (right; corresponds to cluster 2). In the C-site, steric clashes with the Cα substituent are visible (dashed orange lines). An H-bond is only found in hDAT if the aromatic moiety reaches into the B-site (top left, dashed blue lines).
