All the top poses of the N-substituted compounds display a cis configuration (of the N-substituent vs. the 2-aminobenzothiazole core). For 1b, 1c and 1d (Fig. ), the N-cyclopropyl substituent forms favorable van der Waals interactions with the surrounding hydrophobic residues, Phe113 and Leu229, and potentially -with Val230, if the latter sidechain is rotated. The N-phenyl substituent of 1e (Fig. ) forms contacts with Met233