Job 2 #319 Output Download CSV

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  The docking scores are in the AutoDock Vina metric.
L: Cocaine
CXCR1_HUMAN

Docking Scores:
-7.33
Similarity Score:
25.37%
Best Match:
CHEMBL556862
Prediction Result:
N/A

L: Tramadol
CXCR1_HUMAN

Docking Scores:
-7.43
Similarity Score:
26.88%
Best Match:
CHEMBL490688
Prediction Result:
N/A

L: Cocaine
CXCR2_HUMAN

Docking Scores:
-7.76 -6.78 -6.73
Similarity Score:
33.33%
Best Match:
CHEMBL3645131
Prediction Result:
Inactive70.73%

L: Tramadol
CXCR2_HUMAN

Docking Scores:
-8.05 -6.04 -5.75
Similarity Score:
40.94%
Best Match:
CHEMBL3645131
Prediction Result:
Inactive56.36%

L: Cocaine
CXCR3_HUMAN

Docking Scores:
-8.08 -8.00 -7.81
Similarity Score:
38.13%
Best Match:
CHEMBL458422
Prediction Result:
Inactive95.63%

L: Tramadol
CXCR3_HUMAN

Docking Scores:
-7.99 -7.54 -7.69
Similarity Score:
50.00%
Best Match:
CHEMBL3697093
Prediction Result:
Inactive94.47%

L: Cocaine
CXCR4_HUMAN

Docking Scores:
-7.42 -7.12 -7.46
Similarity Score:
33.84%
Best Match:
CHEMBL3923006
Prediction Result:
N/A

L: Tramadol
CXCR4_HUMAN

Docking Scores:
-7.03 -6.26 -6.80
Similarity Score:
37.25%
Best Match:
CHEMBL1644072
Prediction Result:
N/A

L: Cocaine
DRD1_HUMAN

Docking Scores:
-8.10 -7.97 -7.88
Similarity Score:
56.60%
Best Match:
CHEMBL305660
Prediction Result:
Active63.31%

L: Tramadol
DRD1_HUMAN

Docking Scores:
-7.92 -7.16 -7.42
Similarity Score:
55.96%
Best Match:
CHEMBL402143
Prediction Result:
Active51.91%

L: Cocaine
DRD2_HUMAN

Docking Scores:
-7.74
Similarity Score:
62.50%
Best Match:
CHEMBL3318839
Prediction Result:
N/A

L: Tramadol
DRD2_HUMAN

Docking Scores:
-6.60
Similarity Score:
64.00%
Best Match:
CHEMBL1946122
Prediction Result:
N/A

L: Cocaine
DRD3_HUMAN

Docking Scores:
-7.30
Similarity Score:
65.62%
Best Match:
CHEMBL1201203
Prediction Result:
N/A

L: Tramadol
DRD3_HUMAN

Docking Scores:
-6.74
Similarity Score:
64.00%
Best Match:
CHEMBL3321789
Prediction Result:
N/A

L: Cocaine
DRD4_HUMAN

Docking Scores:
-8.09 -8.21
Similarity Score:
62.50%
Best Match:
CHEMBL3318835
Prediction Result:
N/A

L: Tramadol
DRD4_HUMAN

Docking Scores:
-7.06 -7.03
Similarity Score:
60.00%
Best Match:
CHEMBL135944
Prediction Result:
N/A

L: Cocaine
DRD5_HUMAN

Docking Scores:
-8.07 -9.05 -7.29
Similarity Score:
42.86%
Best Match:
CHEMBL54
Prediction Result:
Inactive65.00%

L: Tramadol
DRD5_HUMAN

Docking Scores:
-8.02 -7.91 -6.76
Similarity Score:
55.56%
Best Match:
CHEMBL231171
Prediction Result:
Inactive69.89%

L: Cocaine
EDNRA_HUMAN

Docking Scores:
-7.20 -7.17 -6.86
Similarity Score:
37.31%
Best Match:
CHEMBL315927
Prediction Result:
Inactive54.20%

L: Tramadol
EDNRA_HUMAN

Docking Scores:
-6.40 -6.36 -6.49
Similarity Score:
50.78%
Best Match:
CHEMBL432974
Prediction Result:
Inactive62.04%