Psp case study #507 Output Download CSV

 
  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:
-2.33 ? ?
Similarity Score:
?
Best Match:
?

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:
? ? ?
Similarity Score:
?
Best Match:
?

L: Remdesivir
NS5B_HCV2A

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

L: Remdesivir triphosphate
NS5B_HCV2A

Docking Scores:
-5.36 ?
Similarity Score:
?
Best Match:
?

L: Remdesivir
NS5_9FLAV

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

L: Remdesivir triphosphate
NS5_9FLAV

Docking Scores:
?
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:
? ?
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:
? ?
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:
?
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:
? ? ?
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:
?
Similarity Score:
?
Best Match:
?

L: Remdesivir
NSP15_SARS2

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

L: Remdesivir triphosphate
NSP15_SARS2

Docking Scores:
?
Similarity Score:
N/A
Best Match:
N/A