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. 2023 Apr 4;14(8):1474–1489. doi: 10.1021/acschemneuro.3c00033

Figure 2.

Figure 2

Potential binding mode of 16 at the orthostatic sites of both targets: left, the 5-HT6 receptor; right, GABA-A receptor (canary, 16; cyan, 5-HT6 receptor ligand 1; green, GABA). 1-[3-(Benzyloxy)-2-methylphenyl]piperazine moiety of 16 established equal interactions to selective 5-HT6 antagonist 1, inside the 5-HT6 receptor. In the GABA-A receptor, the acyl fragment of 16 exhibited a binding pose akin to that of the natural agonist GABA. The remaining hybrid elements did not induce steric hindrance in the active sites of 5-HT6 and GABA-A receptors.