Job 3 #320 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: Heroin
GABR1_HUMAN

Docking Scores:
6.02 4.28 12.05
Similarity Score:
17.34%
Best Match:
CHEMBL2391908
Prediction Result:
Inactive99.99%

L: Cocaine
GABR1_HUMAN

Docking Scores:
-2.80 -3.59 0.61
Similarity Score:
21.02%
Best Match:
CHEMBL2391908
Prediction Result:
Inactive99.99%

L: Heroin
GASR_HUMAN

Docking Scores:
-8.68 -8.27 -6.94
Similarity Score:
53.30%
Best Match:
CHEMBL452991
Prediction Result:
Inactive51.99%

L: Cocaine
GASR_HUMAN

Docking Scores:
-7.64 -8.19 -5.65
Similarity Score:
42.48%
Best Match:
CHEMBL103276
Prediction Result:
Inactive73.28%

L: Heroin
GRM1_HUMAN

Docking Scores:
-7.55 -6.33 -2.70
Similarity Score:
33.85%
Best Match:
CHEMBL2111944
Prediction Result:
Inactive99.99%

L: Cocaine
GRM1_HUMAN

Docking Scores:
-7.56 -7.62 -7.41
Similarity Score:
34.62%
Best Match:
CHEMBL92162
Prediction Result:
Inactive68.63%

L: Heroin
GRM2_HUMAN

Docking Scores:
2.71 3.56 4.04
Similarity Score:
31.76%
Best Match:
CHEMBL287831
Prediction Result:
Inactive99.99%

L: Cocaine
GRM2_HUMAN

Docking Scores:
-5.13 -5.15 -4.40
Similarity Score:
57.01%
Best Match:
CHEMBL3955458
Prediction Result:
Active78.11%

L: Heroin
GRM3_HUMAN

Docking Scores:
0.02 -2.38 -1.34
Similarity Score:
30.20%
Best Match:
CHEMBL341457
Prediction Result:
Inactive99.99%

L: Cocaine
GRM3_HUMAN

Docking Scores:
-5.43 -6.47 -6.42
Similarity Score:
57.01%
Best Match:
CHEMBL3955458
Prediction Result:
Active62.19%

L: Heroin
GRM4_HUMAN

Docking Scores:
2.96 2.48 2.39
Similarity Score:
28.37%
Best Match:
CHEMBL2063423
Prediction Result:
Inactive99.99%

L: Cocaine
GRM4_HUMAN

Docking Scores:
-3.27 -2.20 -2.33
Similarity Score:
28.12%
Best Match:
CHEMBL578988
Prediction Result:
Inactive99.99%

L: Heroin
GRM5_HUMAN

Docking Scores:
-6.43 0.62 -1.96
Similarity Score:
29.67%
Best Match:
CHEMBL3805652
Prediction Result:
N/A

L: Cocaine
GRM5_HUMAN

Docking Scores:
-8.63 -5.59 -5.90
Similarity Score:
42.50%
Best Match:
CHEMBL3926962
Prediction Result:
N/A

L: Heroin
GRM6_HUMAN

Docking Scores:
-2.39 -6.18 -4.51
Similarity Score:
17.48%
Best Match:
CHEMBL1585091
Prediction Result:
Inactive99.99%

L: Cocaine
GRM6_HUMAN

Docking Scores:
-6.89 -7.62 -7.18
Similarity Score:
38.32%
Best Match:
CHEMBL275079
Prediction Result:
Inactive98.63%

L: Heroin
GRM7_HUMAN

Docking Scores:
-1.17 0.98 1.56
Similarity Score:
29.44%
Best Match:
CHEMBL432038
Prediction Result:
Inactive99.99%

L: Cocaine
GRM7_HUMAN

Docking Scores:
-5.55 -5.20 -4.95
Similarity Score:
30.37%
Best Match:
CHEMBL432038
Prediction Result:
Inactive99.97%

L: Heroin
GRM8_HUMAN

Docking Scores:
6.41 7.05 8.02
Similarity Score:
29.91%
Best Match:
CHEMBL95868
Prediction Result:
Inactive99.99%

L: Cocaine
GRM8_HUMAN

Docking Scores:
-3.86 -3.38 -2.76
Similarity Score:
31.11%
Best Match:
CHEMBL95868
Prediction Result:
Inactive99.99%