1: Selection, validation, and analysis of the D1R receptor model. (A) Comparison of...

Selection, validation, and analysis of the D1R receptor model. (A) Comparison of LY3154207 ligand binding poses at the ICL2 allosteric site in PDB structures 7CKZ (left) and 7LJC (right). Depicted in the ribbon plots are TM2 (red), ICL2 (yellow), TM3 (green), and ligand LY3154207 (violet). (B) Chemical structures of known allosteric ligands that bind the human D1R (hD1R) ICL2 allosteric site. (C) Docking scores for allosteric ligands in B with hD1R structures PDB 7CKZ and PDB 7LJC . (D, E) Structural comparison of the ICL2 allosteric pocket in hD1R in the absence (PDB: 7JVQ ) and presence (PDB: 7LJC ) of the allosteric ligand LY3154207. The receptor electronic surface is shown in gray, with TM2, ICL2, TM3, and LY3154207 shaded in red, yellow, green, and violet, respectively.

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