LTJv10 #86 Output Download CSV

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

Docking Scores:
-6.07 -5.66 -5.94
Similarity Score:
N/A
Best Match:
N/A

L: Efavirenz
NS3_HCV3A

Docking Scores:
-6.83 -6.99 -6.98
Similarity Score:
N/A
Best Match:
N/A

L: Peramivir
NS3_HCV3A

Docking Scores:
-5.95 -6.11 -5.94
Similarity Score:
N/A
Best Match:
N/A

L: Valaciclovir
NS3_HCV3A

Docking Scores:
-5.71 -5.55 -6.66
Similarity Score:
N/A
Best Match:
N/A

L: Velpatasvir
NS3_HCV3A

Docking Scores:
-8.96 -9.26 -9.83
Similarity Score:
N/A
Best Match:
N/A

L: Cidofovir
NS5B_HCV1A

Docking Scores:
-6.65 -6.24 -6.21
Similarity Score:
23.35%
Best Match:
CHEMBL353549

L: Efavirenz
NS5B_HCV1A

Docking Scores:
-7.30 -7.96 -8.05
Similarity Score:
27.32%
Best Match:
CHEMBL348944

L: Peramivir
NS5B_HCV1A

Docking Scores:
-6.58 -7.07 -7.33
Similarity Score:
42.86%
Best Match:
CHEMBL13443

L: Valaciclovir
NS5B_HCV1A

Docking Scores:
-7.07 -6.61 -7.23
Similarity Score:
25.00%
Best Match:
CHEMBL353549

L: Velpatasvir
NS5B_HCV1A

Docking Scores:
-9.46 -9.24 -9.95
Similarity Score:
39.39%
Best Match:
CHEMBL353549

L: Cidofovir
NS5B_HCV1B

Docking Scores:
-5.54 -5.97 -5.73
Similarity Score:
18.82%
Best Match:
CHEMBL4111989

L: Efavirenz
NS5B_HCV1B

Docking Scores:
-7.35 -6.22 -6.42
Similarity Score:
25.90%
Best Match:
CHEMBL3645194

L: Peramivir
NS5B_HCV1B

Docking Scores:
-7.14 -6.92 -6.24
Similarity Score:
22.32%
Best Match:
CHEMBL3645202

L: Valaciclovir
NS5B_HCV1B

Docking Scores:
-6.31 -7.40 -6.82
Similarity Score:
24.91%
Best Match:
CHEMBL3970609

L: Velpatasvir
NS5B_HCV1B

Docking Scores:
-10.65 -9.50 -8.74
Similarity Score:
37.42%
Best Match:
CHEMBL3645214

L: Cidofovir
NS5B_HCV2A

Docking Scores:
-6.45 -6.89
Similarity Score:
N/A
Best Match:
N/A

L: Efavirenz
NS5B_HCV2A

Docking Scores:
-8.88 -8.56
Similarity Score:
N/A
Best Match:
N/A

L: Peramivir
NS5B_HCV2A

Docking Scores:
-7.55 -8.01
Similarity Score:
N/A
Best Match:
N/A

L: Valaciclovir
NS5B_HCV2A

Docking Scores:
-7.63 -7.91
Similarity Score:
N/A
Best Match:
N/A

L: Velpatasvir
NS5B_HCV2A

Docking Scores:
-8.47 33.63
Similarity Score:
N/A
Best Match:
N/A