Extended Data Fig. 7: Docking poses of clozapine in inactive rM3R and olanzapine in hM3Dq structures. | Nature

Extended Data Fig. 7: Docking poses of clozapine in inactive rM3R and olanzapine in hM3Dq structures.

From: Molecular basis for selective activation of DREADD-based chemogenetics

Extended Data Fig. 7

a, Chemical structures of JHU 37152 (J52), JHU 37160 (J60), compound 6 from the previous SAR study, and AF-DX 384 (384). b-c, Two views of the superposition of the preferred docking pose of clozapine (CLZ) and binding pose of tiotropium (TIO) in the inactive state rM3R structure (4DAJ). d, Superposition of the preferred docking pose of the olanzapine (OLP) and binding pose of DCZ in the hM3Dq structure. The conformational differences from DCZ to OLP are indicated by red arrows.

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