Yixuan's drug11-virus-ckb2 #373 Output Download CSV

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  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: Telaprevir
NA_A-H3N2

Docking Scores:
-8.69 -7.35
Similarity Score:
N/A
Best Match:
N/A

L: Boceprevir
NA_A-H3N2

Docking Scores:
-7.46 -6.92
Similarity Score:
N/A
Best Match:
N/A

L: Narlaprevir
NA_A-H3N2

Docking Scores:
-9.11 -7.06
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: Telaprevir
NA_A-H3N8

Docking Scores:
-9.08 -8.94 -9.08
Similarity Score:
26.83%
Best Match:
CHEMBL4287425

L: Boceprevir
NA_A-H3N8

Docking Scores:
-8.25 -8.06 -7.76
Similarity Score:
26.76%
Best Match:
CHEMBL674

L: Narlaprevir
NA_A-H3N8

Docking Scores:
-8.48 -8.42 -6.99
Similarity Score:
27.49%
Best Match:
CHEMBL4292761

L: Remdesivir
NA_A-H5N1

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

L: Telaprevir
NA_A-H5N1

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

L: Boceprevir
NA_A-H5N1

Docking Scores:
-8.18
Similarity Score:
N/A
Best Match:
N/A

L: Narlaprevir
NA_A-H5N1

Docking Scores:
-8.03
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: Telaprevir
NA_A-H7N9

Docking Scores:
-9.28 -8.99 -8.50
Similarity Score:
N/A
Best Match:
N/A

L: Boceprevir
NA_A-H7N9

Docking Scores:
-7.96 -8.05 -7.63
Similarity Score:
N/A
Best Match:
N/A

L: Narlaprevir
NA_A-H7N9

Docking Scores:
-7.84 -7.47 -8.26
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: Telaprevir
NA_INFB

Docking Scores:
-7.78 -7.36
Similarity Score:
42.76%
Best Match:
CHEMBL195288

L: Boceprevir
NA_INFB

Docking Scores:
-6.96 -7.33
Similarity Score:
51.46%
Best Match:
CHEMBL369125

L: Narlaprevir
NA_INFB

Docking Scores:
-6.64 -6.98
Similarity Score:
38.13%
Best Match:
CHEMBL369125