Job 2 #319 Output Download CSV

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Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: Cocaine
GABR1_HUMAN

Docking Scores:
-2.80 -3.59 0.61
Similarity Score:
21.02%
Best Match:
CHEMBL2391908
Prediction Result:
Inactive99.99%

L: Tramadol
GABR1_HUMAN

Docking Scores:
-3.90 -4.76 1.13
Similarity Score:
27.21%
Best Match:
CHEMBL2391908
Prediction Result:
Inactive99.99%

L: Cocaine
GASR_HUMAN

Docking Scores:
-7.64 -8.19 -5.65
Similarity Score:
42.48%
Best Match:
CHEMBL103276
Prediction Result:
Inactive73.28%

L: Tramadol
GASR_HUMAN

Docking Scores:
-6.32 -6.78 -5.46
Similarity Score:
40.98%
Best Match:
CHEMBL1171596
Prediction Result:
Inactive86.85%

L: Cocaine
GRM1_HUMAN

Docking Scores:
-7.56 -7.62 -7.41
Similarity Score:
34.62%
Best Match:
CHEMBL92162
Prediction Result:
Inactive68.63%

L: Tramadol
GRM1_HUMAN

Docking Scores:
-7.22 -8.53 -8.04
Similarity Score:
36.57%
Best Match:
CHEMBL176068
Prediction Result:
Inactive71.54%

L: Cocaine
GRM2_HUMAN

Docking Scores:
-5.13 -5.15 -4.40
Similarity Score:
57.01%
Best Match:
CHEMBL3955458
Prediction Result:
Active78.11%

L: Tramadol
GRM2_HUMAN

Docking Scores:
-6.32 -5.39 -7.03
Similarity Score:
62.92%
Best Match:
CHEMBL341457
Prediction Result:
Active81.75%

L: Cocaine
GRM3_HUMAN

Docking Scores:
-5.43 -6.47 -6.42
Similarity Score:
57.01%
Best Match:
CHEMBL3955458
Prediction Result:
Active62.19%

L: Tramadol
GRM3_HUMAN

Docking Scores:
-6.98 -7.59 -8.13
Similarity Score:
62.92%
Best Match:
CHEMBL341457
Prediction Result:
Active59.82%

L: Cocaine
GRM4_HUMAN

Docking Scores:
-3.27 -2.20 -2.33
Similarity Score:
28.12%
Best Match:
CHEMBL578988
Prediction Result:
Inactive99.99%

L: Tramadol
GRM4_HUMAN

Docking Scores:
-5.51 -4.26 -4.58
Similarity Score:
32.69%
Best Match:
CHEMBL2023624
Prediction Result:
Inactive70.28%

L: Cocaine
GRM5_HUMAN

Docking Scores:
-8.63 -5.59 -5.90
Similarity Score:
42.50%
Best Match:
CHEMBL3926962
Prediction Result:
N/A

L: Tramadol
GRM5_HUMAN

Docking Scores:
-8.24 -5.89 -5.68
Similarity Score:
49.48%
Best Match:
CHEMBL1289626
Prediction Result:
N/A

L: Cocaine
GRM6_HUMAN

Docking Scores:
-6.89 -7.62 -7.18
Similarity Score:
38.32%
Best Match:
CHEMBL275079
Prediction Result:
Inactive98.63%

L: Tramadol
GRM6_HUMAN

Docking Scores:
-7.73 -8.06 -6.86
Similarity Score:
26.21%
Best Match:
CHEMBL2381649
Prediction Result:
Inactive98.20%

L: Cocaine
GRM7_HUMAN

Docking Scores:
-5.55 -5.20 -4.95
Similarity Score:
30.37%
Best Match:
CHEMBL432038
Prediction Result:
Inactive99.97%

L: Tramadol
GRM7_HUMAN

Docking Scores:
-5.29 -3.65 -5.81
Similarity Score:
45.87%
Best Match:
CHEMBL432038
Prediction Result:
Inactive99.99%

L: Cocaine
GRM8_HUMAN

Docking Scores:
-3.86 -3.38 -2.76
Similarity Score:
31.11%
Best Match:
CHEMBL95868
Prediction Result:
Inactive99.99%

L: Tramadol
GRM8_HUMAN

Docking Scores:
-3.31 -2.89 -2.62
Similarity Score:
46.79%
Best Match:
CHEMBL95868
Prediction Result:
Inactive99.99%