Job 1 #318 Output Download CSV

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

Docking Scores:
-7.26 -7.80 -8.07
Similarity Score:
55.66%
Best Match:
CHEMBL1626
Prediction Result:
Active89.22%

L: Tramadol
5HT6R_HUMAN

Docking Scores:
-6.68 -7.66 -7.03
Similarity Score:
62.64%
Best Match:
CHEMBL484608
Prediction Result:
Active78.67%

L: Cocaine
5HT7R_HUMAN

Docking Scores:
-7.24 -7.43 -7.24
Similarity Score:
44.00%
Best Match:
CHEMBL203400
Prediction Result:
Inactive53.06%

L: Tramadol
5HT7R_HUMAN

Docking Scores:
-6.94 -7.53 -7.50
Similarity Score:
64.00%
Best Match:
CHEMBL3321789
Prediction Result:
Active88.45%

L: Cocaine
AA1R_HUMAN

Docking Scores:
-7.17 -7.78 -7.95
Similarity Score:
38.04%
Best Match:
CHEMBL3350613
Prediction Result:
N/A

L: Tramadol
AA1R_HUMAN

Docking Scores:
-7.38 -7.31 -7.88
Similarity Score:
37.91%
Best Match:
CHEMBL3317576
Prediction Result:
N/A

L: Cocaine
AA2AR_HUMAN

Docking Scores:
-7.18 -7.10 -8.24
Similarity Score:
38.04%
Best Match:
CHEMBL3350613
Prediction Result:
N/A

L: Tramadol
AA2AR_HUMAN

Docking Scores:
-7.02 -7.29 -8.09
Similarity Score:
37.91%
Best Match:
CHEMBL3317576
Prediction Result:
N/A

L: Cocaine
AA2BR_HUMAN

Docking Scores:
-7.52 -7.49 -7.43
Similarity Score:
34.91%
Best Match:
CHEMBL384257
Prediction Result:
Active52.64%

L: Tramadol
AA2BR_HUMAN

Docking Scores:
-6.72 -7.24 -6.80
Similarity Score:
37.91%
Best Match:
CHEMBL3317576
Prediction Result:
Active61.39%

L: Cocaine
AA3R_HUMAN

Docking Scores:
-7.97 -6.06 -7.80
Similarity Score:
69.90%
Best Match:
CHEMBL2107804
Prediction Result:
Active95.06%

L: Tramadol
AA3R_HUMAN

Docking Scores:
-7.48 -6.27 -7.74
Similarity Score:
51.09%
Best Match:
CHEMBL56
Prediction Result:
Active70.71%

L: Cocaine
ACM1_HUMAN

Docking Scores:
-9.40 -5.02
Similarity Score:
71.29%
Best Match:
CHEMBL85190
Prediction Result:
N/A

L: Tramadol
ACM1_HUMAN

Docking Scores:
-8.07 -5.02
Similarity Score:
73.68%
Best Match:
CHEMBL1490
Prediction Result:
N/A

L: Cocaine
ACM2_HUMAN

Docking Scores:
-7.71 -7.48 -9.15
Similarity Score:
71.29%
Best Match:
CHEMBL85190
Prediction Result:
Active94.39%

L: Tramadol
ACM2_HUMAN

Docking Scores:
-7.20 -6.49 -7.95
Similarity Score:
73.68%
Best Match:
CHEMBL1490
Prediction Result:
Active83.83%

L: Cocaine
ACM3_HUMAN

Docking Scores:
-7.82 -8.64 -8.43
Similarity Score:
65.62%
Best Match:
CHEMBL1201203
Prediction Result:
Active76.56%

L: Tramadol
ACM3_HUMAN

Docking Scores:
-7.29 -7.76 -7.29
Similarity Score:
73.68%
Best Match:
CHEMBL1490
Prediction Result:
Active91.81%

L: Cocaine
ACM4_HUMAN

Docking Scores:
-9.10 -7.97
Similarity Score:
71.29%
Best Match:
CHEMBL85190
Prediction Result:
N/A

L: Tramadol
ACM4_HUMAN

Docking Scores:
-8.40 -7.92
Similarity Score:
73.68%
Best Match:
CHEMBL1490
Prediction Result:
N/A