Table 3.
Receptor | Binding Energy kJ/mol | Ligand Efficiency | Inhibitory Constant (µM) | Vdw_hb_Desolv_Energy | Interactions |
---|---|---|---|---|---|
Cannabinoid receptor 2 (CB2) | −7.83 | −0.52 | 1.81 | −7.84 | Ile186, Ile110, Trp194, Phe281, Val113, Phe183, Thr114 |
Cannabinoid receptor 1 (CB1) | −5.16 | −0.34 | 165.22 | −5.16 | Phe191, Gly194, Gly195, Ala198, Ile245, Val249 |
PPAR-α | −6.66 | −0.44 | 13.05 | −6.67 | Ile241, Leu247, Glu251, Leu254, Arg271, Ile272, Cys275, Val332, Ala333 |
TRPV1 | −7.58 | −0.51 | 2.8 | −7.57 | Phe488, Arg491, Gly492, Glu513, Phe516, Tyr554 |