PSP case study #520 Output Download CSV

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  The docking scores are in the AutoDock Vina metric.
L: Remdesivir
NS2B_DEN1W

Docking Scores:
-6.50
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir triphosphate
NS2B_DEN1W

Docking Scores:
-6.35
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
NS2B_DEN2P

Docking Scores:
-6.59 -7.24
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir triphosphate
NS2B_DEN2P

Docking Scores:
-6.56 -7.78
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
NS2B_ZIKV

Docking Scores:
-7.01 -7.02
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir triphosphate
NS2B_ZIKV

Docking Scores:
-6.69 -6.37
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
NS2B_ZIKVF

Docking Scores:
-7.50
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir triphosphate
NS2B_ZIKVF

Docking Scores:
-6.78
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
NS3_9FLAV

Docking Scores:
-8.74
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir triphosphate
NS3_9FLAV

Docking Scores:
-7.43
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
NS3_DEN4T

Docking Scores:
-8.68 -8.24
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir triphosphate
NS3_DEN4T

Docking Scores:
-8.57 -7.23
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
NS3_HCV1A

Docking Scores:
-6.82 -6.14 -6.30
Similarity Score:
50.17%
Best Match:
CHEMBL3696815

L: Remdesivir triphosphate
NS3_HCV1A

Docking Scores:
-7.74 -6.11 -7.54
Similarity Score:
33.85%
Best Match:
CHEMBL3696819

L: Remdesivir
NS3_HCV1B

Docking Scores:
-6.62 -6.24 -5.28
Similarity Score:
23.98%
Best Match:
CHEMBL297884

L: Remdesivir triphosphate
NS3_HCV1B

Docking Scores:
-6.20 -6.81 -6.04
Similarity Score:
24.74%
Best Match:
CHEMBL297884

L: Remdesivir
NS3_HCV3A

Docking Scores:
-7.47 -7.27 -7.46
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir triphosphate
NS3_HCV3A

Docking Scores:
-6.65 -6.21 -6.35
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
NS3_ZIKV

Docking Scores:
-8.54
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir triphosphate
NS3_ZIKV

Docking Scores:
-8.07
Similarity Score:
N/A
Best Match:
N/A