Job 1 #318 Output Download CSV

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

Docking Scores:
-3.80 -4.57 0.24
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:
-7.62 -7.19 -6.38
Similarity Score:
42.48%
Best Match:
CHEMBL103276
Prediction Result:
Inactive78.71%

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:
-7.43 -7.90 -8.37
Similarity Score:
34.62%
Best Match:
CHEMBL92162
Prediction Result:
Inactive67.72%

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:
-6.29 -5.56 -5.79
Similarity Score:
57.01%
Best Match:
CHEMBL3955458
Prediction Result:
Active69.20%

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:
-6.33 -5.60 -7.15
Similarity Score:
57.01%
Best Match:
CHEMBL3955458
Prediction Result:
Active72.40%

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:
-3.46 -2.76 -4.04
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:
-7.80 -5.05 -6.44
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:
-6.79 -8.57 -8.17
Similarity Score:
38.32%
Best Match:
CHEMBL275079
Prediction Result:
Inactive99.12%

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:
-5.30 -3.52 -6.22
Similarity Score:
30.37%
Best Match:
CHEMBL432038
Prediction Result:
Inactive99.99%

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:
-4.82 -5.14 -4.41
Similarity Score:
31.11%
Best Match:
CHEMBL95868
Prediction Result:
Inactive69.78%

L: Tramadol
GRM8_HUMAN

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