The last selected compound, 1e, has a flipped position of the 2-aminobenzothiazole ring in the top-scoring pose (not shown), so it was discarded according to the selection criteria, whereas in the second pose (Fig. ), the 3,4-dichlorophenyl tail is positioned in subpocket B, forming a halogen bond with the sidechain amide nitrogen of Asn175. Although this compound did not fully satisfy the selection criteria, it was selected to support the elucidation of the SAR.