Job 3 #320 Output - DAKB-GPCRS

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Job 3 #320 Output Download CSV

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Gene Protein

The docking scores are in the AutoDock Vina metric.

L: Heroin

BKRB2_HUMAN

Docking Scores:
-8.28 -10.89 -9.28
Similarity Score:
28.09%
Best Match:
CHEMBL2105864
Prediction Result:
Inactive^70.52%

L: Cocaine

BKRB2_HUMAN

Docking Scores:
-7.77 -9.72 -8.49
Similarity Score:
35.66%
Best Match:
CHEMBL406291
Prediction Result:
Inactive^66.43%

L: Heroin

CALCR_HUMAN

Docking Scores:
-7.87 -8.23 -8.47
Similarity Score:
27.31%
Best Match:
CHEMBL2369895
Prediction Result:
Inactive^98.39%

L: Cocaine

CALCR_HUMAN

Docking Scores:
-8.01 -8.02 -7.92
Similarity Score:
32.95%
Best Match:
CHEMBL2369895
Prediction Result:
Inactive^98.28%

L: Heroin

CCKAR_HUMAN

Docking Scores:
-8.85 -8.20 -8.52
Similarity Score:
28.89%
Best Match:
CHEMBL249151
Prediction Result:
Inactive^92.59%

L: Cocaine

CCKAR_HUMAN

Docking Scores:
-8.15 -8.45 -9.19
Similarity Score:
36.96%
Best Match:
CHEMBL206025
Prediction Result:
Inactive^84.62%

L: Heroin

CCR1_HUMAN

Docking Scores:
-8.95 -7.90 -7.87
Similarity Score:
37.72%
Best Match:
CHEMBL2391937
Prediction Result:
Inactive^79.92%

L: Cocaine

CCR1_HUMAN

Docking Scores:
-7.80 -6.77 -6.94
Similarity Score:
47.24%
Best Match:
CHEMBL344324
Prediction Result:
Inactive^93.85%

L: Heroin

CCR2_HUMAN

Docking Scores:
-8.74 -8.66 -7.96
Similarity Score:
39.00%
Best Match:
CHEMBL3589950
Prediction Result:
Inactive^54.02%

L: Cocaine

CCR2_HUMAN

Docking Scores:
-7.48 -7.46 -7.06
Similarity Score:
50.43%
Best Match:
CHEMBL1683053
Prediction Result:
Inactive^84.84%

L: Heroin

CCR4_HUMAN

Docking Scores:
-7.33 -8.46 -8.96
Similarity Score:
29.15%
Best Match:
CHEMBL1907216
Prediction Result:
Inactive^69.74%

L: Cocaine

CCR4_HUMAN

Docking Scores:
-7.79 -7.32 -7.49
Similarity Score:
31.69%
Best Match:
CHEMBL1907216
Prediction Result:
Inactive^65.84%

L: Heroin

CCR5_HUMAN

Docking Scores:
-8.55 -8.49 -7.93
Similarity Score:
45.36%
Best Match:
CHEMBL3219777
Prediction Result:
Inactive^76.36%

L: Cocaine

CCR5_HUMAN

Docking Scores:
-7.49 -8.10 -7.43
Similarity Score:
54.76%
Best Match:
CHEMBL101333
Prediction Result:
Inactive^88.30%

L: Heroin

CLTR1_HUMAN

Docking Scores:
-8.58 -8.85 -10.18
Similarity Score:
34.26%
Best Match:
CHEMBL1214532
Prediction Result:
Inactive^77.56%

L: Cocaine

CLTR1_HUMAN

Docking Scores:
-7.23 -7.74 -8.62
Similarity Score:
32.96%
Best Match:
CHEMBL3342957
Prediction Result:
Inactive^96.83%

L: Heroin

CNR1_HUMAN

Docking Scores:
-7.79 -9.66 -9.84
Similarity Score:
52.34%
Best Match:
CHEMBL1668516
Prediction Result:
N/A

L: Cocaine

CNR1_HUMAN

Docking Scores:
-6.60 -8.50 -8.29
Similarity Score:
42.86%
Best Match:
CHEMBL1765160
Prediction Result:
N/A

L: Heroin

CNR2_HUMAN

Docking Scores:
-10.27 -10.13
Similarity Score:
53.23%
Best Match:
CHEMBL2348471
Prediction Result:
N/A

L: Cocaine

CNR2_HUMAN

Docking Scores:
-8.66 -8.53
Similarity Score:
50.00%
Best Match:
CHEMBL1765285
Prediction Result:
N/A