SARS2v1 #171 Output Download CSV

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

Docking Scores:
-6.79 -6.99 -7.07
Similarity Score:
N/A
Best Match:
N/A

L: Cyclosporine
NS3_HCV3A

Docking Scores:
-5.64 -6.85 -6.50
Similarity Score:
N/A
Best Match:
N/A

L: Loperamide
NS3_HCV3A

Docking Scores:
-6.77 -6.58 -7.14
Similarity Score:
N/A
Best Match:
N/A

L: Tilorone
NS3_HCV3A

Docking Scores:
-5.61 -5.32 -5.85
Similarity Score:
N/A
Best Match:
N/A

L: Mefloquine
NS3_HCV3A

Docking Scores:
-7.94 -8.10 -8.05
Similarity Score:
N/A
Best Match:
N/A

L: Amodiaquine
NS5B_HCV1A

Docking Scores:
-7.51 -8.02 -8.18
Similarity Score:
27.70%
Best Match:
CHEMBL363650

L: Cyclosporine
NS5B_HCV1A

Docking Scores:
-6.77 -3.09 -4.57
Similarity Score:
50.00%
Best Match:
CHEMBL320324

L: Loperamide
NS5B_HCV1A

Docking Scores:
-8.59 -9.72 -9.73
Similarity Score:
38.56%
Best Match:
CHEMBL68034

L: Tilorone
NS5B_HCV1A

Docking Scores:
-6.80 -7.73 -7.95
Similarity Score:
29.69%
Best Match:
CHEMBL175894

L: Mefloquine
NS5B_HCV1A

Docking Scores:
-8.34 -8.76 -8.96
Similarity Score:
42.65%
Best Match:
CHEMBL353549

L: Amodiaquine
NS5B_HCV1B

Docking Scores:
-7.89 -7.77 -7.41
Similarity Score:
32.32%
Best Match:
CHEMBL3645194

L: Cyclosporine
NS5B_HCV1B

Docking Scores:
-7.70 -6.40 27.21
Similarity Score:
19.26%
Best Match:
CHEMBL3422106

L: Loperamide
NS5B_HCV1B

Docking Scores:
-8.23 -8.96 -9.02
Similarity Score:
27.83%
Best Match:
CHEMBL3645208

L: Tilorone
NS5B_HCV1B

Docking Scores:
-6.95 -7.12 -6.66
Similarity Score:
20.66%
Best Match:
CHEMBL3645182

L: Mefloquine
NS5B_HCV1B

Docking Scores:
-8.50 -7.94 -7.63
Similarity Score:
32.18%
Best Match:
CHEMBL3422107

L: Amodiaquine
NS5B_HCV2A

Docking Scores:
-8.70 -8.67
Similarity Score:
N/A
Best Match:
N/A

L: Cyclosporine
NS5B_HCV2A

Docking Scores:
47.81 ?
Similarity Score:
N/A
Best Match:
N/A

L: Loperamide
NS5B_HCV2A

Docking Scores:
-8.82 -8.24
Similarity Score:
N/A
Best Match:
N/A

L: Tilorone
NS5B_HCV2A

Docking Scores:
-7.89 -8.50
Similarity Score:
N/A
Best Match:
N/A

L: Mefloquine
NS5B_HCV2A

Docking Scores:
-9.40 -9.77
Similarity Score:
N/A
Best Match:
N/A