Job final #324 Output Download CSV

View All
Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: Heroin
HRH1_HUMAN

Docking Scores:
-7.01
Similarity Score:
40.30%
Best Match:
CHEMBL476839
Prediction Result:
N/A

L: Cocaine
HRH1_HUMAN

Docking Scores:
-6.41
Similarity Score:
65.62%
Best Match:
CHEMBL1201203
Prediction Result:
N/A

L: Heroin
HRH2_HUMAN

Docking Scores:
-8.96 -8.71 -8.65
Similarity Score:
37.68%
Best Match:
CHEMBL490632
Prediction Result:
Active98.32%

L: Cocaine
HRH2_HUMAN

Docking Scores:
-8.40 -7.49 -7.05
Similarity Score:
55.66%
Best Match:
CHEMBL1626
Prediction Result:
Active91.60%

L: Heroin
HRH3_HUMAN

Docking Scores:
-7.61 -8.78 -9.21
Similarity Score:
45.00%
Best Match:
CHEMBL1935421
Prediction Result:
Active60.31%

L: Cocaine
HRH3_HUMAN

Docking Scores:
-7.34 -7.92 -7.84
Similarity Score:
55.28%
Best Match:
CHEMBL514217
Prediction Result:
Active79.12%

L: Heroin
HRH4_HUMAN

Docking Scores:
-7.94 -6.87 -7.93
Similarity Score:
34.98%
Best Match:
CHEMBL1934062
Prediction Result:
Inactive51.29%

L: Cocaine
HRH4_HUMAN

Docking Scores:
-7.83 -7.75 -7.97
Similarity Score:
53.23%
Best Match:
CHEMBL4083336
Prediction Result:
Active85.47%

L: Heroin
MC3R_HUMAN

Docking Scores:
-8.43 -8.21 -7.18
Similarity Score:
32.92%
Best Match:
CHEMBL257759
Prediction Result:
Inactive73.31%

L: Cocaine
MC3R_HUMAN

Docking Scores:
-7.00 -7.02 -6.89
Similarity Score:
47.83%
Best Match:
CHEMBL379879
Prediction Result:
Inactive52.12%

L: Heroin
MC4R_HUMAN

Docking Scores:
-8.17 -7.57 -7.45
Similarity Score:
34.69%
Best Match:
CHEMBL439361
Prediction Result:
Inactive95.04%

L: Cocaine
MC4R_HUMAN

Docking Scores:
-6.86 -6.32 -6.46
Similarity Score:
47.83%
Best Match:
CHEMBL379879
Prediction Result:
Inactive74.10%

L: Heroin
MC5R_HUMAN

Docking Scores:
-6.26 -7.42 -4.75
Similarity Score:
32.92%
Best Match:
CHEMBL257759
Prediction Result:
Inactive87.21%

L: Cocaine
MC5R_HUMAN

Docking Scores:
-6.15 -7.48 -4.80
Similarity Score:
37.21%
Best Match:
CHEMBL1209788
Prediction Result:
Inactive84.94%

L: Heroin
MSHR_HUMAN

Docking Scores:
-8.08 -7.90 -8.34
Similarity Score:
34.60%
Best Match:
CHEMBL442537
Prediction Result:
Inactive69.76%

L: Cocaine
MSHR_HUMAN

Docking Scores:
-7.38 -7.77 -7.74
Similarity Score:
47.83%
Best Match:
CHEMBL379879
Prediction Result:
Inactive57.96%

L: Heroin
NK1R_HUMAN

Docking Scores:
-9.22 -7.83 -7.72
Similarity Score:
44.73%
Best Match:
CHEMBL327606
Prediction Result:
N/A

L: Cocaine
NK1R_HUMAN

Docking Scores:
-7.83 -8.12 -7.35
Similarity Score:
54.84%
Best Match:
CHEMBL2115009
Prediction Result:
N/A

L: Heroin
NK2R_HUMAN

Docking Scores:
-8.70 -8.42 -8.68
Similarity Score:
42.64%
Best Match:
CHEMBL553025
Prediction Result:
Inactive92.92%

L: Cocaine
NK2R_HUMAN

Docking Scores:
-7.89 -7.47 -7.62
Similarity Score:
56.60%
Best Match:
CHEMBL305660
Prediction Result:
Inactive92.97%