Case-8.29.23 #513 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: Remdesivir
NA_A-H3N2

Docking Scores:
-7.59 -7.50
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir Triphosphate
NA_A-H3N2

Docking Scores:
-6.93 -6.18
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
NA_A-H3N8

Docking Scores:
-8.37 -8.35 -8.09
Similarity Score:
19.35%
Best Match:
CHEMBL4278505

L: Remdesivir Triphosphate
NA_A-H3N8

Docking Scores:
-8.15 -8.46 -8.22
Similarity Score:
17.22%
Best Match:
CHEMBL4285767

L: Remdesivir
NA_A-H5N1

Docking Scores:
-8.30
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir Triphosphate
NA_A-H5N1

Docking Scores:
-8.29
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
NA_A-H7N9

Docking Scores:
-7.93 -8.03 -8.36
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir Triphosphate
NA_A-H7N9

Docking Scores:
-7.52 -7.94 -8.06
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
NA_INFB

Docking Scores:
-7.83 -8.09
Similarity Score:
21.22%
Best Match:
CHEMBL362993

L: Remdesivir Triphosphate
NA_INFB

Docking Scores:
-8.34 -7.58
Similarity Score:
22.34%
Best Match:
CHEMBL362993

L: Remdesivir
NP_9ADNV

Docking Scores:
-5.52 -7.87
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir Triphosphate
NP_9ADNV

Docking Scores:
-4.41 -6.67
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
NP_A-H1N1

Docking Scores:
-5.82 -6.71 -6.08
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir Triphosphate
NP_A-H1N1

Docking Scores:
-5.36 -6.21 -6.04
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
NP_A-H5N1

Docking Scores:
-5.92
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir Triphosphate
NP_A-H5N1

Docking Scores:
-5.89
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
NP_EBOZM

Docking Scores:
-6.25 -6.89 -6.23
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir Triphosphate
NP_EBOZM

Docking Scores:
-5.61 -6.03 -5.97
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
NP_HCoV-NL63

Docking Scores:
-7.03
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir Triphosphate
NP_HCoV-NL63

Docking Scores:
-6.72
Similarity Score:
N/A
Best Match:
N/A