Table 1.
Compound | Structure | Relative maximum ERK response | H-bonding energy (arbitrary units) | ||
---|---|---|---|---|---|
FFA1 | GPR120 | FFA1 | GPR120 | ||
α-LA | 1.00 | 1.00* | −5.73 | −3.03* | |
AMGEN-1 | 1.25 | 0.13 | −7.48 | −3.15 | |
GW9508 | 0.80 | 0.28 | −4.79 | −2.83 | |
MEDICA16 | 0.90 | 0.21* | −5.91 | −1.73* | |
NCG20 | 0.93 | 1.38* | −4.85 | −4.04* | |
NCG21 | 0.67 | 1.54* | −5.09 | −5.92* | |
NCG22 | 0.64 | 0.93* | −5.17 | −5.07* | |
NCG23 | 1.07 | 1.20* | −6.58 | −4.10* | |
NCG25 | 1.26 | 1.25* | −7.16 | −4.73* | |
NCG26 | 1.10 | 1.02* | −5.87 | −4.54* | |
NCG27 | 0.61 | 0.55* | −3.50 | −2.23* | |
NCG28 | 1.20 | 0.80* | −5.69 | −3.66* | |
NCG29 | 0.17 | 1.46* | −4.19 | −3.56* | |
NCG30 | 0.36 | 1.45* | −3.46 | −5.57* | |
NCG31 | 0.13 | 1.40* | −3.22 | −4.06* | |
NCG32 | 0.87 | 1.03* | −5.34 | −3.86* | |
NCG33 | 0.04 | 0.39* | −3.80 | −2.88* | |
NCG34 | 1.17 | 1.37* | −5.78 | −5.36* | |
NCG35 | 1.30 | 1.48* | −7.53 | −4.75* | |
NCG38 | 1.03 | 1.24* | −6.87 | −4.87* | |
NCG39 | 0.42 | 1.23* | −4.09 | −4.75* | |
NCG40 | 1.03 | 0.62* | −5.42 | −2.73* | |
NCG41 | 1.61 | 0.96* | −7.95 | −2.61* | |
NCG42 | 0.79 | 0.54* | −3.46 | −2.92* | |
NCG44 | 0.32 | 0.64* | −4.30 | −3.10* | |
NCG45 | 0.06 | 0.76* | −3.33 | −3.39* | |
NCG46 | 0.53 | 1.20* | −5.21 | −5.41* | |
NCG48 | 1.04 | 0.92* | −6.15 | −3.98* | |
NCG49 | 0.89 | 0.75* | −5.23 | −2.61* | |
NCG50 | 1.02 | 1.14* | −3.96 | −4.93* | |
NCG51 | 0.95 | 1.32* | −5.75 | −4.77* | |
NCG52 | 0.90 | 0.29* | −4.29 | −2.70* | |
NCG53 | 1.47 | 1.27* | −5.82 | −4.56* | |
NCG57 | 1.21 | 1.09* | −6.98 | −4.11* | |
NCG74 | 1.64 | 0.66 | −7.05 | −1.67 | |
NCG75 | 1.63 | 0.27 | −6.77 | −2.19 | |
NCG85 | 1.45 | 0.86 | −6.85 | −3.52 | |
NCG86 | 0.62 | 0.74 | −3.37 | −2.84 | |
NCG87 | 0.99 | 0.10 | −5.13 | −1.11 | |
NCG88 | 0.91 | 0.20 | −6.89 | −3.42 | |
NCG89 | 0.86 | 0.11 | −6.87 | −0.76 | |
NCG97 | 1.20 | 0.22 | −6.57 | −1.21 | |
NCG98 | 0.89 | 0.19 | −5.24 | −1.65 | |
NCG99 | 0.87 | 0.18 | −5.82 | −2.34 | |
NCG100 | 0.18 | 0.11 | −2.22 | −3.08 | |
NCG101 | 0.70 | 0.04 | −4.36 | −1.50 | |
NCG102 | 0.80 | 0.05 | −5.36 | −1.27 | |
NCG103 | 0.66 | 0.12 | −3.24 | −2.54 | |
NCG104 | 0.63 | 0.02 | −5.93 | −1.00 | |
NCG105 | 0.38 | 0.04 | −3.19 | −1.45 | |
NCG106 | 0.66 | 0.07 | −4.24 | −0.18 |
The relative maximal ERK response was calculated as the relative value of the agonist response elicited by each compound (100 µM), with respect to the response evoked by 100 µM α-LA in FFA1 receptor- or GPR120-expressing cells.
Values from Sun et al. (2010).