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Validation of predicted allosteric sites. A. FTMap site prediction (mesh) matches the recently validated UCB compound (cyan) binding location on the D2 receptor (PDB ID 6CM4). Key residues from the D2 receptor are represented as sticks. The UCB compound was docked using the FTMap probes as the docking box for Autodock Vina. B. The ligand SANT1 copied from the Smoothened receptor structure 4N4W into the dopamine D2 receptor structure 6CM4 after superimposing the two structures.
