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. Author manuscript; available in PMC: 2020 Nov 3.
Published in final edited form as: J Med Chem. 2018 May 10;61(10):4370–4385. doi: 10.1021/acs.jmedchem.7b01820

Figure 3.

Figure 3.

Overall positioning of the analogue modification from Table 1. (A) Compound 16 in its lowest-MMGBSA-scored pose with the hCB1 residues within 4 Å of the ligand displayed (PDB ID: 5TGZ). (B) Water contacting compound 16. Thus, 16 is partially solvent-accessible.