1 H-and 2D NOESY NMR spectra of all phenothiazine-CD complexes were collected at 298 K on a 600 MHz Bruker Avance III spectrometer fitted with a 1.7 mm triple resonance cryoprobe with z-axis gradients. All NMR studies were run in D2O. 1 H-NMR was collected with F1 presaturation of the water peak with 16 scans, and 2D NOESY spectra were performed using water suppression and excitation sculpting with gradient and States-TPPI acquisition mode. One-dimensional 1 H NMR was used to determine the chemical shift perturbations of the complexed molecules and to assign NOE signals. These spectra and the peak assignments are provided in the Supporting Information.