LTJv12 #88 Output Download CSV

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

Docking Scores:
-7.20 -6.55 -6.88
Similarity Score:
N/A
Best Match:
N/A

L: Valganciclovir
NS3_HCV3A

Docking Scores:
-6.32 -6.19 -6.90
Similarity Score:
N/A
Best Match:
N/A

L: Nelfinavir
NS3_HCV3A

Docking Scores:
-7.38 -6.97 -7.07
Similarity Score:
N/A
Best Match:
N/A

L: Rilpivirine
NS3_HCV3A

Docking Scores:
-6.91 -7.05 -7.50
Similarity Score:
N/A
Best Match:
N/A

L: Foscarnet
NS3_HCV3A

Docking Scores:
-3.87 -4.04 -3.99
Similarity Score:
N/A
Best Match:
N/A

L: Saquinavir
NS5B_HCV1A

Docking Scores:
-9.35 -10.52 -9.48
Similarity Score:
53.22%
Best Match:
CHEMBL13256

L: Valganciclovir
NS5B_HCV1A

Docking Scores:
-7.05 -6.86 -7.63
Similarity Score:
25.00%
Best Match:
CHEMBL353549

L: Nelfinavir
NS5B_HCV1A

Docking Scores:
-8.26 -9.76 -9.81
Similarity Score:
38.12%
Best Match:
CHEMBL13256

L: Rilpivirine
NS5B_HCV1A

Docking Scores:
-8.19 -9.70 -9.71
Similarity Score:
22.10%
Best Match:
CHEMBL3644940

L: Foscarnet
NS5B_HCV1A

Docking Scores:
-4.47 -4.42 -4.33
Similarity Score:
4.65%
Best Match:
CHEMBL3644878

L: Saquinavir
NS5B_HCV1B

Docking Scores:
-9.45 -9.30 -8.99
Similarity Score:
40.47%
Best Match:
CHEMBL3645202

L: Valganciclovir
NS5B_HCV1B

Docking Scores:
-6.61 -7.54 -6.94
Similarity Score:
25.56%
Best Match:
CHEMBL3645211

L: Nelfinavir
NS5B_HCV1B

Docking Scores:
-8.52 -8.76 -8.56
Similarity Score:
30.22%
Best Match:
CHEMBL3645202

L: Rilpivirine
NS5B_HCV1B

Docking Scores:
-8.10 -9.00 -7.65
Similarity Score:
23.85%
Best Match:
CHEMBL3645207

L: Foscarnet
NS5B_HCV1B

Docking Scores:
-3.91 -3.86 -3.78
Similarity Score:
4.41%
Best Match:
CHEMBL3911921

L: Saquinavir
NS5B_HCV2A

Docking Scores:
-11.35 -9.51
Similarity Score:
N/A
Best Match:
N/A

L: Valganciclovir
NS5B_HCV2A

Docking Scores:
-8.38 -8.21
Similarity Score:
N/A
Best Match:
N/A

L: Nelfinavir
NS5B_HCV2A

Docking Scores:
-8.65 -5.73
Similarity Score:
N/A
Best Match:
N/A

L: Rilpivirine
NS5B_HCV2A

Docking Scores:
-9.36 -10.22
Similarity Score:
N/A
Best Match:
N/A

L: Foscarnet
NS5B_HCV2A

Docking Scores:
-4.51 -4.41
Similarity Score:
N/A
Best Match:
N/A