Figure 4. Two images (0°−180° views) of the binding mode between (S)-17 and the LPA1 receptor (active conformation) as predicted by docking calculations.
Blue lines represent hydrogen bonds and grey dashed lines hydrophobic interactions. Residues marked in green are reported in the literature33, 45 to bind to other agonists. The LPA1 active state model was retrieved from the GPCRdb46, 47 (structure file provided in the Supporting Information).