Job final #324 Output Download CSV

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Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: Heroin
BKRB2_HUMAN

Docking Scores:
-8.28 -10.89 -9.28
Similarity Score:
28.09%
Best Match:
CHEMBL2105864
Prediction Result:
Inactive70.52%

L: Cocaine
BKRB2_HUMAN

Docking Scores:
-7.77 -9.72 -8.49
Similarity Score:
35.66%
Best Match:
CHEMBL406291
Prediction Result:
Inactive66.43%

L: Heroin
CALCR_HUMAN

Docking Scores:
-7.87 -8.23 -8.47
Similarity Score:
27.31%
Best Match:
CHEMBL2369895
Prediction Result:
Inactive98.39%

L: Cocaine
CALCR_HUMAN

Docking Scores:
-8.01 -8.02 -7.92
Similarity Score:
32.95%
Best Match:
CHEMBL2369895
Prediction Result:
Inactive98.28%

L: Heroin
CCKAR_HUMAN

Docking Scores:
-8.85 -8.20 -8.52
Similarity Score:
28.89%
Best Match:
CHEMBL249151
Prediction Result:
Inactive92.59%

L: Cocaine
CCKAR_HUMAN

Docking Scores:
-8.15 -8.45 -9.19
Similarity Score:
36.96%
Best Match:
CHEMBL206025
Prediction Result:
Inactive84.62%

L: Heroin
CCR1_HUMAN

Docking Scores:
-8.95 -7.90 -7.87
Similarity Score:
37.72%
Best Match:
CHEMBL2391937
Prediction Result:
Inactive79.92%

L: Cocaine
CCR1_HUMAN

Docking Scores:
-7.80 -6.77 -6.94
Similarity Score:
47.24%
Best Match:
CHEMBL344324
Prediction Result:
Inactive93.85%

L: Heroin
CCR2_HUMAN

Docking Scores:
-8.74 -8.66 -7.96
Similarity Score:
39.00%
Best Match:
CHEMBL3589950
Prediction Result:
Inactive54.02%

L: Cocaine
CCR2_HUMAN

Docking Scores:
-7.48 -7.46 -7.06
Similarity Score:
50.43%
Best Match:
CHEMBL1683053
Prediction Result:
Inactive84.84%

L: Heroin
CCR4_HUMAN

Docking Scores:
-7.33 -8.46 -8.96
Similarity Score:
29.15%
Best Match:
CHEMBL1907216
Prediction Result:
Inactive69.74%

L: Cocaine
CCR4_HUMAN

Docking Scores:
-7.79 -7.32 -7.49
Similarity Score:
31.69%
Best Match:
CHEMBL1907216
Prediction Result:
Inactive65.84%

L: Heroin
CCR5_HUMAN

Docking Scores:
-8.55 -8.49 -7.93
Similarity Score:
45.36%
Best Match:
CHEMBL3219777
Prediction Result:
Inactive76.36%

L: Cocaine
CCR5_HUMAN

Docking Scores:
-7.49 -8.10 -7.43
Similarity Score:
54.76%
Best Match:
CHEMBL101333
Prediction Result:
Inactive88.30%

L: Heroin
CLTR1_HUMAN

Docking Scores:
-8.58 -8.85 -10.18
Similarity Score:
34.26%
Best Match:
CHEMBL1214532
Prediction Result:
Inactive77.56%

L: Cocaine
CLTR1_HUMAN

Docking Scores:
-7.23 -7.74 -8.62
Similarity Score:
32.96%
Best Match:
CHEMBL3342957
Prediction Result:
Inactive96.83%

L: Heroin
CNR1_HUMAN

Docking Scores:
-7.79 -9.66 -9.84
Similarity Score:
52.34%
Best Match:
CHEMBL1668516
Prediction Result:
N/A

L: Cocaine
CNR1_HUMAN

Docking Scores:
-6.60 -8.50 -8.29
Similarity Score:
42.86%
Best Match:
CHEMBL1765160
Prediction Result:
N/A

L: Heroin
CNR2_HUMAN

Docking Scores:
-10.27 -10.13
Similarity Score:
53.23%
Best Match:
CHEMBL2348471
Prediction Result:
N/A

L: Cocaine
CNR2_HUMAN

Docking Scores:
-8.66 -8.53
Similarity Score:
50.00%
Best Match:
CHEMBL1765285
Prediction Result:
N/A