Psp case study #507 Output Download CSV

View All
 
  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:
?
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:
? ?
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:
-4.86 11.17
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:
-4.97
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:
-6.74
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:
2.76 ?
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:
? ? ?
Similarity Score:
?
Best Match:
?

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

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:
? ? ?
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:
-4.02
Similarity Score:
N/A
Best Match:
N/A