SARS2v4 #174 Output Download CSV

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  The docking scores are in the AutoDock Vina metric.
L: Tetrandrine
NS3_HCV3A

Docking Scores:
-7.63 -6.89 -7.57
Similarity Score:
N/A
Best Match:
N/A

L: Berbamine
NS3_HCV3A

Docking Scores:
-7.46 -7.05 -6.80
Similarity Score:
N/A
Best Match:
N/A

L: Anidulafungin
NS3_HCV3A

Docking Scores:
-8.05 -7.85 -8.63
Similarity Score:
N/A
Best Match:
N/A

L: Gilteritinib
NS3_HCV3A

Docking Scores:
-7.41 -6.73 -7.22
Similarity Score:
N/A
Best Match:
N/A

L: Abemaciclib
NS3_HCV3A

Docking Scores:
-8.18 -7.97 -7.38
Similarity Score:
N/A
Best Match:
N/A

L: Tetrandrine
NS5B_HCV1A

Docking Scores:
-9.07 -10.52 -9.84
Similarity Score:
32.50%
Best Match:
CHEMBL446360

L: Berbamine
NS5B_HCV1A

Docking Scores:
-9.57 -10.75 -9.85
Similarity Score:
32.50%
Best Match:
CHEMBL446360

L: Anidulafungin
NS5B_HCV1A

Docking Scores:
-9.36 -8.86 -9.61
Similarity Score:
46.91%
Best Match:
CHEMBL68034

L: Gilteritinib
NS5B_HCV1A

Docking Scores:
-8.97 -9.95 -10.15
Similarity Score:
30.21%
Best Match:
CHEMBL13256

L: Abemaciclib
NS5B_HCV1A

Docking Scores:
-9.53 -8.87 -9.33
Similarity Score:
37.65%
Best Match:
CHEMBL353549

L: Tetrandrine
NS5B_HCV1B

Docking Scores:
-8.54 -7.57 -7.61
Similarity Score:
27.73%
Best Match:
CHEMBL3645180

L: Berbamine
NS5B_HCV1B

Docking Scores:
-8.69 -8.32 -8.03
Similarity Score:
27.73%
Best Match:
CHEMBL3645180

L: Anidulafungin
NS5B_HCV1B

Docking Scores:
-8.70 -8.95 -8.50
Similarity Score:
36.40%
Best Match:
CHEMBL3645214

L: Gilteritinib
NS5B_HCV1B

Docking Scores:
-8.34 -8.54 -8.35
Similarity Score:
33.88%
Best Match:
CHEMBL3645214

L: Abemaciclib
NS5B_HCV1B

Docking Scores:
-8.91 -8.27 -7.82
Similarity Score:
32.85%
Best Match:
CHEMBL3645200

L: Tetrandrine
NS5B_HCV2A

Docking Scores:
-7.83 -4.67
Similarity Score:
N/A
Best Match:
N/A

L: Berbamine
NS5B_HCV2A

Docking Scores:
-7.53 -5.49
Similarity Score:
N/A
Best Match:
N/A

L: Anidulafungin
NS5B_HCV2A

Docking Scores:
-11.07 15.07
Similarity Score:
N/A
Best Match:
N/A

L: Gilteritinib
NS5B_HCV2A

Docking Scores:
-9.40 -6.46
Similarity Score:
N/A
Best Match:
N/A

L: Abemaciclib
NS5B_HCV2A

Docking Scores:
-10.74 -8.70
Similarity Score:
N/A
Best Match:
N/A