Fig. 1.

(A) Sliced surface view of the binding site of the ${\mathrm{\beta }}_2\text{AR}$ in an inactive conformation (PDB code 2RH1) with the predicted binding mode of compound red_A05B51. The OP, SBP, and TBP are colored green, blue, and orange, respectively. (B) Binding-site representation illustrating the product design strategy. (C) Dose–response curve of red_A05B51 against ${\mathrm{\beta }}_2\text{AR}$-Nb80 (active state, green curve) and ${\mathrm{\beta }}_2\text{AR}$-Nb69 (basal state, red curve). The difference in affinity between the two conformations denotes red_A05B51 as the agonist candidate.