Figure 5.

Ligand-based 3D pharmacophore model built from μ-PAMs shown in Table 1. The best 3D pharmacophore model that separates μ-PAMs and μ-SAMs includes two H-bond acceptors (i.e., the two oxygen atoms of the sulfur dioxide group), one halogen substituent or hydrophobic group (i.e., R1 = Br, Cl, Me; see Table 1), and three aromatic rings related by specific distances and angles listed in Tables S6 and S7.