Job 3 #320 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: Heroin
ACM5_HUMAN

Docking Scores:
-9.45 -9.39 -8.25
Similarity Score:
42.67%
Best Match:
CHEMBL2312366
Prediction Result:
Active62.49%

L: Cocaine
ACM5_HUMAN

Docking Scores:
-8.78 -8.83 -8.96
Similarity Score:
65.62%
Best Match:
CHEMBL1201203
Prediction Result:
Active78.76%

L: Heroin
ACTHR_HUMAN

Docking Scores:
-8.35 -8.52 -8.56
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

L: Cocaine
ACTHR_HUMAN

Docking Scores:
-9.28 -8.70 -7.95
Similarity Score:
N/A
Best Match:
N/A
Prediction Result:
N/A

L: Heroin
ADA1D_HUMAN

Docking Scores:
-8.58 -8.86 -9.02
Similarity Score:
40.58%
Best Match:
CHEMBL383938
Prediction Result:
Inactive64.77%

L: Cocaine
ADA1D_HUMAN

Docking Scores:
-7.67 -8.60 -7.62
Similarity Score:
65.62%
Best Match:
CHEMBL1201203
Prediction Result:
Active83.09%

L: Heroin
ADA2A_HUMAN

Docking Scores:
-0.96 -1.81 2.23
Similarity Score:
42.36%
Best Match:
CHEMBL50588
Prediction Result:
Inactive99.99%

L: Cocaine
ADA2A_HUMAN

Docking Scores:
-6.15 -6.98 -5.71
Similarity Score:
65.62%
Best Match:
CHEMBL1201203
Prediction Result:
Active91.05%

L: Heroin
ADA2B_HUMAN

Docking Scores:
-7.52 -6.14 -4.74
Similarity Score:
36.32%
Best Match:
CHEMBL268258
Prediction Result:
Active55.11%

L: Cocaine
ADA2B_HUMAN

Docking Scores:
-9.09 -8.76 -8.67
Similarity Score:
65.62%
Best Match:
CHEMBL1201203
Prediction Result:
Active84.06%

L: Heroin
ADA2C_HUMAN

Docking Scores:
5.36 5.10 4.53
Similarity Score:
42.36%
Best Match:
CHEMBL50588
Prediction Result:
Inactive99.99%

L: Cocaine
ADA2C_HUMAN

Docking Scores:
-4.16 -3.94 -2.84
Similarity Score:
65.62%
Best Match:
CHEMBL1201203
Prediction Result:
Inactive99.99%

L: Heroin
ADRB1_HUMAN

Docking Scores:
-9.09 -8.03 -8.60
Similarity Score:
38.46%
Best Match:
CHEMBL1346
Prediction Result:
Inactive60.94%

L: Cocaine
ADRB1_HUMAN

Docking Scores:
-8.53 -8.05 -8.49
Similarity Score:
45.90%
Best Match:
CHEMBL1085395
Prediction Result:
Active54.92%

L: Heroin
ADRB2_HUMAN

Docking Scores:
-7.87 -8.85 -9.49
Similarity Score:
40.36%
Best Match:
CHEMBL1714856
Prediction Result:
N/A

L: Cocaine
ADRB2_HUMAN

Docking Scores:
-7.61 -8.27 -8.16
Similarity Score:
49.60%
Best Match:
CHEMBL1459608
Prediction Result:
N/A

L: Heroin
ADRB3_HUMAN

Docking Scores:
-9.02 -8.21 -8.70
Similarity Score:
41.67%
Best Match:
CHEMBL59765
Prediction Result:
N/A

L: Cocaine
ADRB3_HUMAN

Docking Scores:
-8.02 -7.77 -7.74
Similarity Score:
49.23%
Best Match:
CHEMBL3746885
Prediction Result:
N/A

L: Heroin
AGTR2_HUMAN

Docking Scores:
-8.46 -8.44 -8.46
Similarity Score:
41.15%
Best Match:
CHEMBL154057
Prediction Result:
N/A

L: Cocaine
AGTR2_HUMAN

Docking Scores:
-7.97 -8.11 -7.59
Similarity Score:
32.61%
Best Match:
CHEMBL376286
Prediction Result:
N/A