Job 1 #318 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: Cocaine
BKRB2_HUMAN

Docking Scores:
-8.17 -8.32 -8.33
Similarity Score:
35.66%
Best Match:
CHEMBL406291
Prediction Result:
Inactive73.81%

L: Tramadol
BKRB2_HUMAN

Docking Scores:
-7.27 -8.27 -8.03
Similarity Score:
34.09%
Best Match:
CHEMBL406291
Prediction Result:
Inactive79.75%

L: Cocaine
CALCR_HUMAN

Docking Scores:
-7.21 -7.43 -7.53
Similarity Score:
32.95%
Best Match:
CHEMBL2369895
Prediction Result:
Inactive97.90%

L: Tramadol
CALCR_HUMAN

Docking Scores:
-6.18 -6.77 -6.42
Similarity Score:
32.30%
Best Match:
CHEMBL2369895
Prediction Result:
Inactive91.45%

L: Cocaine
CCKAR_HUMAN

Docking Scores:
-7.65 -7.30 -9.05
Similarity Score:
36.96%
Best Match:
CHEMBL206025
Prediction Result:
Inactive94.20%

L: Tramadol
CCKAR_HUMAN

Docking Scores:
-7.03 -7.01 -7.58
Similarity Score:
33.12%
Best Match:
CHEMBL382051
Prediction Result:
Inactive98.00%

L: Cocaine
CCR1_HUMAN

Docking Scores:
-8.13 -6.69 -6.78
Similarity Score:
47.24%
Best Match:
CHEMBL344324
Prediction Result:
Inactive93.98%

L: Tramadol
CCR1_HUMAN

Docking Scores:
-6.98 -6.57 -6.38
Similarity Score:
64.29%
Best Match:
CHEMBL142263
Prediction Result:
Inactive86.36%

L: Cocaine
CCR2_HUMAN

Docking Scores:
-7.50 -7.79 -7.30
Similarity Score:
50.43%
Best Match:
CHEMBL1683053
Prediction Result:
Inactive77.00%

L: Tramadol
CCR2_HUMAN

Docking Scores:
-6.66 -6.48 -6.06
Similarity Score:
50.00%
Best Match:
CHEMBL403033
Prediction Result:
Inactive97.87%

L: Cocaine
CCR4_HUMAN

Docking Scores:
-6.88 -7.39 -7.96
Similarity Score:
31.69%
Best Match:
CHEMBL1907216
Prediction Result:
Inactive75.09%

L: Tramadol
CCR4_HUMAN

Docking Scores:
-6.55 -7.29 -6.73
Similarity Score:
37.50%
Best Match:
CHEMBL499852
Prediction Result:
Inactive75.54%

L: Cocaine
CCR5_HUMAN

Docking Scores:
-7.49 -7.55 -7.30
Similarity Score:
54.76%
Best Match:
CHEMBL101333
Prediction Result:
Inactive94.66%

L: Tramadol
CCR5_HUMAN

Docking Scores:
-6.73 -6.45 -6.58
Similarity Score:
57.95%
Best Match:
CHEMBL317710
Prediction Result:
Inactive88.29%

L: Cocaine
CLTR1_HUMAN

Docking Scores:
-7.04 -8.01 -9.24
Similarity Score:
32.96%
Best Match:
CHEMBL3342957
Prediction Result:
Inactive93.32%

L: Tramadol
CLTR1_HUMAN

Docking Scores:
-8.23 -7.17 -7.77
Similarity Score:
35.22%
Best Match:
CHEMBL3401686
Prediction Result:
Inactive91.39%

L: Cocaine
CNR1_HUMAN

Docking Scores:
-6.67 -8.16 -8.54
Similarity Score:
42.86%
Best Match:
CHEMBL1765160
Prediction Result:
N/A

L: Tramadol
CNR1_HUMAN

Docking Scores:
-7.16 -8.24 -8.06
Similarity Score:
68.97%
Best Match:
CHEMBL3321781
Prediction Result:
N/A

L: Cocaine
CNR2_HUMAN

Docking Scores:
-8.57 -9.14
Similarity Score:
50.00%
Best Match:
CHEMBL1765285
Prediction Result:
N/A

L: Tramadol
CNR2_HUMAN

Docking Scores:
-8.30 -8.43
Similarity Score:
63.73%
Best Match:
CHEMBL1765250
Prediction Result:
N/A