Job final #324 Output Download CSV

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Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: Heroin
5HT6R_HUMAN

Docking Scores:
-8.27 -7.96 -7.77
Similarity Score:
43.36%
Best Match:
CHEMBL429023
Prediction Result:
Active63.09%

L: Cocaine
5HT6R_HUMAN

Docking Scores:
-7.38 -7.56 -8.23
Similarity Score:
55.66%
Best Match:
CHEMBL1626
Prediction Result:
Active91.64%

L: Heroin
5HT7R_HUMAN

Docking Scores:
-8.86 -9.18 -9.31
Similarity Score:
42.06%
Best Match:
CHEMBL3581246
Prediction Result:
Active74.24%

L: Cocaine
5HT7R_HUMAN

Docking Scores:
-7.70 -7.68 -7.67
Similarity Score:
44.00%
Best Match:
CHEMBL203400
Prediction Result:
Active57.55%

L: Heroin
AA1R_HUMAN

Docking Scores:
-8.28 -9.04 -7.24
Similarity Score:
29.48%
Best Match:
CHEMBL1090687
Prediction Result:
N/A

L: Cocaine
AA1R_HUMAN

Docking Scores:
-7.76 -8.03 -7.78
Similarity Score:
38.04%
Best Match:
CHEMBL3350613
Prediction Result:
N/A

L: Heroin
AA2AR_HUMAN

Docking Scores:
-7.48 -7.87 -9.48
Similarity Score:
35.71%
Best Match:
CHEMBL559023
Prediction Result:
N/A

L: Cocaine
AA2AR_HUMAN

Docking Scores:
-7.75 -7.56 -8.15
Similarity Score:
38.04%
Best Match:
CHEMBL3350613
Prediction Result:
N/A

L: Heroin
AA2BR_HUMAN

Docking Scores:
-8.90 -8.88 -9.01
Similarity Score:
30.71%
Best Match:
CHEMBL589251
Prediction Result:
Inactive53.78%

L: Cocaine
AA2BR_HUMAN

Docking Scores:
-7.49 -7.98 -7.63
Similarity Score:
34.91%
Best Match:
CHEMBL384257
Prediction Result:
Inactive62.04%

L: Heroin
AA3R_HUMAN

Docking Scores:
-4.56 -4.37 -8.41
Similarity Score:
55.86%
Best Match:
CHEMBL80
Prediction Result:
Active62.29%

L: Cocaine
AA3R_HUMAN

Docking Scores:
-7.84 -6.56 -8.35
Similarity Score:
69.90%
Best Match:
CHEMBL2107804
Prediction Result:
Active95.77%

L: Heroin
ACM1_HUMAN

Docking Scores:
-9.46 4.59
Similarity Score:
43.05%
Best Match:
CHEMBL2312344
Prediction Result:
N/A

L: Cocaine
ACM1_HUMAN

Docking Scores:
-9.21 -3.38
Similarity Score:
71.29%
Best Match:
CHEMBL85190
Prediction Result:
N/A

L: Heroin
ACM2_HUMAN

Docking Scores:
-9.90 -8.69 -10.25
Similarity Score:
40.51%
Best Match:
CHEMBL343236
Prediction Result:
Inactive52.32%

L: Cocaine
ACM2_HUMAN

Docking Scores:
-8.02 -7.92 -9.03
Similarity Score:
71.29%
Best Match:
CHEMBL85190
Prediction Result:
Active90.74%

L: Heroin
ACM3_HUMAN

Docking Scores:
-8.90 -9.54 -8.35
Similarity Score:
40.77%
Best Match:
CHEMBL1921911
Prediction Result:
Active59.88%

L: Cocaine
ACM3_HUMAN

Docking Scores:
-7.96 -8.65 -9.29
Similarity Score:
65.62%
Best Match:
CHEMBL1201203
Prediction Result:
Active75.43%

L: Heroin
ACM4_HUMAN

Docking Scores:
-7.77 -7.29
Similarity Score:
38.46%
Best Match:
CHEMBL1346
Prediction Result:
N/A

L: Cocaine
ACM4_HUMAN

Docking Scores:
-9.22 -7.78
Similarity Score:
71.29%
Best Match:
CHEMBL85190
Prediction Result:
N/A