JEFFO job 580 #264 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: HU-580
GABR1_HUMAN

Docking Scores:
-1.39 -2.52 4.01
Similarity Score:
19.21%
Best Match:
CHEMBL2391908
Prediction Result:
Inactive99.99%

L: CBDA
GABR1_HUMAN

Docking Scores:
-4.24 -4.28 3.71
Similarity Score:
19.53%
Best Match:
CHEMBL2391908
Prediction Result:
Inactive99.99%

L: HU-580
GASR_HUMAN

Docking Scores:
-7.88 -7.28 -6.51
Similarity Score:
27.01%
Best Match:
CHEMBL452991
Prediction Result:
Inactive87.09%

L: CBDA
GASR_HUMAN

Docking Scores:
-8.00 -6.84 -5.81
Similarity Score:
27.12%
Best Match:
CHEMBL286847
Prediction Result:
Inactive83.32%

L: HU-580
GRM1_HUMAN

Docking Scores:
-7.84 -8.04 -6.98
Similarity Score:
32.34%
Best Match:
CHEMBL176068
Prediction Result:
Inactive69.84%

L: CBDA
GRM1_HUMAN

Docking Scores:
-7.83 -8.59 -7.42
Similarity Score:
33.33%
Best Match:
CHEMBL176068
Prediction Result:
Inactive67.89%

L: HU-580
GRM2_HUMAN

Docking Scores:
-2.51 -0.36 -2.32
Similarity Score:
47.26%
Best Match:
CHEMBL593013
Prediction Result:
Inactive99.99%

L: CBDA
GRM2_HUMAN

Docking Scores:
-3.90 -0.83 -3.00
Similarity Score:
44.06%
Best Match:
CHEMBL593013
Prediction Result:
Inactive99.99%

L: HU-580
GRM3_HUMAN

Docking Scores:
-5.77 -7.45 -8.15
Similarity Score:
35.34%
Best Match:
CHEMBL2112634
Prediction Result:
Inactive93.46%

L: CBDA
GRM3_HUMAN

Docking Scores:
-6.10 -8.01 -9.19
Similarity Score:
37.90%
Best Match:
CHEMBL2112634
Prediction Result:
Inactive95.38%

L: HU-580
GRM4_HUMAN

Docking Scores:
-2.43 -0.95 -2.13
Similarity Score:
22.71%
Best Match:
CHEMBL3560239
Prediction Result:
Inactive99.99%

L: CBDA
GRM4_HUMAN

Docking Scores:
-1.74 -0.62 -1.38
Similarity Score:
23.63%
Best Match:
CHEMBL3901929
Prediction Result:
Inactive99.99%

L: HU-580
GRM5_HUMAN

Docking Scores:
-7.33 -6.11 -5.72
Similarity Score:
39.13%
Best Match:
CHEMBL1682818
Prediction Result:
N/A

L: CBDA
GRM5_HUMAN

Docking Scores:
-7.93 -6.19 -5.59
Similarity Score:
36.57%
Best Match:
CHEMBL1682818
Prediction Result:
N/A

L: HU-580
GRM6_HUMAN

Docking Scores:
-5.57 -6.76 -6.93
Similarity Score:
19.63%
Best Match:
CHEMBL1585091
Prediction Result:
Inactive96.17%

L: CBDA
GRM6_HUMAN

Docking Scores:
-6.71 -8.34 -7.96
Similarity Score:
17.62%
Best Match:
CHEMBL1585091
Prediction Result:
Inactive98.93%

L: HU-580
GRM7_HUMAN

Docking Scores:
-1.46 0.19 -0.57
Similarity Score:
29.61%
Best Match:
CHEMBL432038
Prediction Result:
Inactive99.99%

L: CBDA
GRM7_HUMAN

Docking Scores:
-1.95 -3.07 -1.80
Similarity Score:
30.56%
Best Match:
CHEMBL432038
Prediction Result:
Inactive99.99%

L: HU-580
GRM8_HUMAN

Docking Scores:
0.05 0.28 -0.10
Similarity Score:
29.61%
Best Match:
CHEMBL432038
Prediction Result:
Inactive99.99%

L: CBDA
GRM8_HUMAN

Docking Scores:
-0.57 0.60 -1.54
Similarity Score:
30.71%
Best Match:
CHEMBL143210
Prediction Result:
Inactive99.99%