PSP-case study 1 #505 Output Download CSV

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Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: Remdesivir
NS5B_HCV1A

Docking Scores:
-7.87 -8.75 -8.86
Similarity Score:
26.36%
Best Match:
CHEMBL353549

L: Remdesivir triphosphate
NS5B_HCV1A

Docking Scores:
-7.71 -8.02 -8.00
Similarity Score:
27.56%
Best Match:
CHEMBL353549

L: Remdesivir
NS5B_HCV1B

Docking Scores:
-8.12 -8.03 -7.90
Similarity Score:
67.51%
Best Match:
CHEMBL4111989

L: Remdesivir triphosphate
NS5B_HCV1B

Docking Scores:
-6.90 -6.81 -6.27
Similarity Score:
92.24%
Best Match:
CHEMBL4111989

L: Remdesivir
NS5B_HCV2A

Docking Scores:
-9.92 -8.77
Similarity Score:
20.97%
Best Match:
CHEMBL4203791

L: Remdesivir triphosphate
NS5B_HCV2A

Docking Scores:
-8.21 -7.82
Similarity Score:
21.66%
Best Match:
CHEMBL3127326

L: Remdesivir
NS5_9FLAV

Docking Scores:
-7.82
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir triphosphate
NS5_9FLAV

Docking Scores:
-7.52
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
NS5_DEN3S

Docking Scores:
-8.13 -8.53
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir triphosphate
NS5_DEN3S

Docking Scores:
-7.31 -7.50
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
NS5_ZIKV

Docking Scores:
-8.63 -5.71
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir triphosphate
NS5_ZIKV

Docking Scores:
-7.98 -4.74
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
NS5_ZIKVF

Docking Scores:
-8.10
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir triphosphate
NS5_ZIKVF

Docking Scores:
-7.92
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
NS6_9CALI

Docking Scores:
-4.74 -6.05 -6.50
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir triphosphate
NS6_9CALI

Docking Scores:
-4.87 -5.59 -6.79
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
NSP15_SARS

Docking Scores:
-6.95
Similarity Score:
18.75%
Best Match:
CHEMBL2441745

L: Remdesivir triphosphate
NSP15_SARS

Docking Scores:
-5.89
Similarity Score:
20.15%
Best Match:
CHEMBL2441741

L: Remdesivir
NSP15_SARS2

Docking Scores:
-6.47
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir triphosphate
NSP15_SARS2

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