Predicting opioid receptor binding affinity of pharmacologically unclassified designer substances using molecular docking
Fig 1
Fentanyl derivatization and the μOR.
(A) Commonly-modified positions around the 4-anilidopiperidine core of fentanyl. (B) The seven-helix transmembrane domain of the μOR in complex with agonist BU72; the binding site is represented by the transparent surface.