Fig 6. Displacement of enclosed water molecules by the (-)-stepholidine C3 analogues.

Representative bound poses of (-)-stepholidine C3 analogues (purple) interacting with Ser 196 at the orthosteric binding site of the dopamine D3 receptor is observed to displace fewer enclosed water molecules, especially at the secondary binding site. AGBPN2 sites 11 and 14 are not displaced in this conformation of the C3 analogues (Table 2).