Spectra acquisition was carried out on a Bruker 600MHz AVIIIHD spectrometer equipped with a 5 mm a nitrogen-cooled triple resonance probe 1 H/ 19 F [ 13 C, N]-TCI (Prodigy) and high throughput sample changer (SampleJet) for 579 samples with temperature option for sample storage. All spectra were acquired and processed using Bruker software Topspin 3.6.2 and Topspin 4.0.9, respectively. For the TLX-ligand interaction studies, two samples (with and without protein) were prepared. H-1D, water-suppressed proton 1D (zgesgppe , water suppression using excitation sculpting with gradients using perfect echo) was acquired for each of the sample. Interaction studies were performed at a ratio of 1:1 with respect to TLX and the ligand.