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

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  The docking scores are in the AutoDock Vina metric.
L: Remdesivir
NS3_DEN4T

Docking Scores:
-8.68 -8.24
Similarity Score:
N/A
Best Match:
N/A

L: Telaprevir
NS3_DEN4T

Docking Scores:
-8.86 -9.14
Similarity Score:
N/A
Best Match:
N/A

L: Boceprevir
NS3_DEN4T

Docking Scores:
-7.96 -7.94
Similarity Score:
N/A
Best Match:
N/A

L: Narlaprevir
NS3_DEN4T

Docking Scores:
-9.30 -8.41
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: Telaprevir
NS3_HCV1A

Docking Scores:
-6.90 -6.30 -7.67
Similarity Score:
67.11%
Best Match:
CHEMBL3645733

L: Boceprevir
NS3_HCV1A

Docking Scores:
-6.28 -7.39 -6.70
Similarity Score:
52.43%
Best Match:
CHEMBL3645608

L: Narlaprevir
NS3_HCV1A

Docking Scores:
-6.54 -6.26 -6.75
Similarity Score:
45.11%
Best Match:
CHEMBL3645608

L: Remdesivir
NS3_HCV1B

Docking Scores:
-6.62 -6.24 -5.28
Similarity Score:
23.98%
Best Match:
CHEMBL297884

L: Telaprevir
NS3_HCV1B

Docking Scores:
-7.27 -7.98 -6.54
Similarity Score:
100.00%
Best Match:
CHEMBL231813

L: Boceprevir
NS3_HCV1B

Docking Scores:
-7.00 -6.38 -7.39
Similarity Score:
86.59%
Best Match:
CHEMBL3921185

L: Narlaprevir
NS3_HCV1B

Docking Scores:
-7.17 -7.08 -5.92
Similarity Score:
61.54%
Best Match:
CHEMBL3921185

L: Remdesivir
NS3_HCV3A

Docking Scores:
-7.47 -7.27 -7.46
Similarity Score:
N/A
Best Match:
N/A

L: Telaprevir
NS3_HCV3A

Docking Scores:
-8.12 -7.60 -7.42
Similarity Score:
N/A
Best Match:
N/A

L: Boceprevir
NS3_HCV3A

Docking Scores:
-7.05 -8.00 -7.57
Similarity Score:
N/A
Best Match:
N/A

L: Narlaprevir
NS3_HCV3A

Docking Scores:
-7.09 -7.13 -7.14
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: Telaprevir
NS3_ZIKV

Docking Scores:
-9.67
Similarity Score:
N/A
Best Match:
N/A

L: Boceprevir
NS3_ZIKV

Docking Scores:
-8.40
Similarity Score:
N/A
Best Match:
N/A

L: Narlaprevir
NS3_ZIKV

Docking Scores:
-7.36
Similarity Score:
N/A
Best Match:
N/A