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. Author manuscript; available in PMC: 2021 Aug 19.
Published in final edited form as: ACS Chem Neurosci. 2021 May 5;12(10):1777–1790. doi: 10.1021/acschemneuro.0c00810

Table 4.

The docking results (kcal/mol) for opioids and diazepam targeting to both the active and inactive X-ray structures of MOR and KOR.

OXY DZP 4VO BF0 CVV JDC
active MOR −6.38 −6.81 −9.47 −6.07 - -
inactive MOR −5.93 −6.38 −5.42 −7.39 - -
active KOR −7.20 −6.51 - - −7.47 −7.32
inactive KOR −5.49 −5.50 - - −6.42 −8.68