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. Author manuscript; available in PMC: 2023 Jun 1.
Published in final edited form as: Comput Biol Med. 2023 May 2;160:106921. doi: 10.1016/j.compbiomed.2023.106921

Table 5:

Summary of the FDA-approved drugs that are potential potent inhibitors of KOR and DOR with BA <−9.54 kcal/mol whist being potential weak inhibitors of MOR and DOR with BA >−9.54 kcal/mol. The predicted binding affinities (unit: kcal/mol) by our ML-models are provided. The reliability scores of the ML-prediction are given in the parenthesis.

Drugbank ID Generic Name BA-MOR BA-KOR BA-DOR
1 DB00193 Tramadol −7.72 (1.00) −10.40 (1.00) −10.62 (1.00)