Job 3 #320 Output Download CSV

View All
 
  The docking scores are in the AutoDock Vina metric.
L: Heroin
CXCR1_HUMAN

Docking Scores:
-8.34
Similarity Score:
28.73%
Best Match:
CHEMBL490688
Prediction Result:
N/A

L: Cocaine
CXCR1_HUMAN

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

L: Heroin
CXCR2_HUMAN

Docking Scores:
-8.27 -8.06 -7.83
Similarity Score:
32.59%
Best Match:
CHEMBL3645131
Prediction Result:
Inactive68.27%

L: Cocaine
CXCR2_HUMAN

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

L: Heroin
CXCR3_HUMAN

Docking Scores:
-8.86 -8.59 -8.51
Similarity Score:
43.38%
Best Match:
CHEMBL3697086
Prediction Result:
Inactive85.32%

L: Cocaine
CXCR3_HUMAN

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

L: Heroin
CXCR4_HUMAN

Docking Scores:
-8.66 -7.45 -7.75
Similarity Score:
31.98%
Best Match:
CHEMBL2029611
Prediction Result:
N/A

L: Cocaine
CXCR4_HUMAN

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

L: Heroin
DRD1_HUMAN

Docking Scores:
-7.79 -8.69 -8.94
Similarity Score:
45.89%
Best Match:
CHEMBL3781035
Prediction Result:
Active71.93%

L: Cocaine
DRD1_HUMAN

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

L: Heroin
DRD2_HUMAN

Docking Scores:
-8.04
Similarity Score:
50.78%
Best Match:
CHEMBL170976
Prediction Result:
N/A

L: Cocaine
DRD2_HUMAN

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

L: Heroin
DRD3_HUMAN

Docking Scores:
-8.45
Similarity Score:
50.78%
Best Match:
CHEMBL170976
Prediction Result:
N/A

L: Cocaine
DRD3_HUMAN

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

L: Heroin
DRD4_HUMAN

Docking Scores:
-8.51 -8.90
Similarity Score:
44.81%
Best Match:
CHEMBL132261
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: Heroin
DRD5_HUMAN

Docking Scores:
-7.88 -7.12 -7.53
Similarity Score:
42.80%
Best Match:
CHEMBL3577346
Prediction Result:
Inactive66.68%

L: Cocaine
DRD5_HUMAN

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

L: Heroin
EDNRA_HUMAN

Docking Scores:
-8.25 -8.01 -8.04
Similarity Score:
42.92%
Best Match:
CHEMBL323951
Prediction Result:
Active57.57%

L: Cocaine
EDNRA_HUMAN

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