Job 3 #320 Output Download CSV

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Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: Heroin
5HT1A_HUMAN

Docking Scores:
-8.68 -7.64 -8.26
Similarity Score:
47.55%
Best Match:
CHEMBL49838
Prediction Result:
Inactive52.43%

L: Cocaine
5HT1A_HUMAN

Docking Scores:
-8.49 -7.37 -7.38
Similarity Score:
60.33%
Best Match:
CHEMBL56564
Prediction Result:
Active62.30%

L: Heroin
5HT1B_HUMAN

Docking Scores:
-8.84 -9.16 -9.67
Similarity Score:
46.63%
Best Match:
CHEMBL29951
Prediction Result:
N/A

L: Cocaine
5HT1B_HUMAN

Docking Scores:
-8.32 -8.28 -8.12
Similarity Score:
46.51%
Best Match:
CHEMBL79693
Prediction Result:
N/A

L: Heroin
5HT1D_HUMAN

Docking Scores:
-9.15 -7.59 -7.55
Similarity Score:
46.63%
Best Match:
CHEMBL29951
Prediction Result:
N/A

L: Cocaine
5HT1D_HUMAN

Docking Scores:
-8.02 -7.73 -7.02
Similarity Score:
46.51%
Best Match:
CHEMBL79693
Prediction Result:
N/A

L: Heroin
5HT1E_HUMAN

Docking Scores:
-8.24 -7.61 -8.21
Similarity Score:
26.49%
Best Match:
CHEMBL343755
Prediction Result:
Inactive71.03%

L: Cocaine
5HT1E_HUMAN

Docking Scores:
-7.67 -7.90 -8.24
Similarity Score:
26.55%
Best Match:
CHEMBL103479
Prediction Result:
Active53.04%

L: Heroin
5HT1F_HUMAN

Docking Scores:
-9.28 -9.38 -9.60
Similarity Score:
26.47%
Best Match:
CHEMBL497963
Prediction Result:
Inactive71.38%

L: Cocaine
5HT1F_HUMAN

Docking Scores:
-8.39 -8.42 -8.62
Similarity Score:
29.76%
Best Match:
CHEMBL320198
Prediction Result:
Inactive57.25%

L: Heroin
5HT2A_HUMAN

Docking Scores:
-9.45 -7.40
Similarity Score:
47.74%
Best Match:
CHEMBL3695438
Prediction Result:
N/A

L: Cocaine
5HT2A_HUMAN

Docking Scores:
-8.29 -8.35
Similarity Score:
65.62%
Best Match:
CHEMBL1201203
Prediction Result:
N/A

L: Heroin
5HT2B_HUMAN

Docking Scores:
-8.63 -8.94 -9.24
Similarity Score:
45.71%
Best Match:
CHEMBL445106
Prediction Result:
N/A

L: Cocaine
5HT2B_HUMAN

Docking Scores:
-7.60 -8.08 -8.09
Similarity Score:
65.62%
Best Match:
CHEMBL1201203
Prediction Result:
N/A

L: Heroin
5HT2C_HUMAN

Docking Scores:
-8.91 -9.12
Similarity Score:
45.71%
Best Match:
CHEMBL445106
Prediction Result:
N/A

L: Cocaine
5HT2C_HUMAN

Docking Scores:
-7.93 -8.85
Similarity Score:
65.62%
Best Match:
CHEMBL1201203
Prediction Result:
N/A

L: Heroin
5HT4R_HUMAN

Docking Scores:
-9.55 -9.30 -7.46
Similarity Score:
36.73%
Best Match:
CHEMBL571799
Prediction Result:
Inactive59.81%

L: Cocaine
5HT4R_HUMAN

Docking Scores:
-8.37 -8.39 -7.43
Similarity Score:
60.33%
Best Match:
CHEMBL56564
Prediction Result:
Active75.18%

L: Heroin
5HT5A_HUMAN

Docking Scores:
-9.92 -7.50 -8.25
Similarity Score:
41.05%
Best Match:
CHEMBL278751
Prediction Result:
Inactive74.19%

L: Cocaine
5HT5A_HUMAN

Docking Scores:
-8.11 -6.45 -6.95
Similarity Score:
38.28%
Best Match:
CHEMBL161507
Prediction Result:
Inactive55.30%