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. 2022 Oct 17;13(11):1707–1714. doi: 10.1021/acsmedchemlett.2c00237

Table 2. Interactions Found for the Best Docked Poses of FE200041 [FF(d-Nle)R-NH2], 7, and a Crystallographic Ligand on KOR.

  FE200041 7 crystallographic ligand
Asp 138 1 ionic interaction 1 ionic interaction 1 ionic interaction
Asp 223   1 H-bond  
Trp 287 π–π π–π  
Cys 210 1 H-bond    
Tyr 312 π–π    
Glu 297 1 H-bond and 1 ionic interaction 2 H-bond and 1 ionic interaction  
Ser 211   1 H-bond