LTJv5 #82 Output Download CSV

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

Docking Scores:
-8.24 -8.84 -8.81
Similarity Score:
N/A
Best Match:
N/A

L: Famciclovir
NS3_HCV3A

Docking Scores:
-5.50 -5.67 -6.31
Similarity Score:
N/A
Best Match:
N/A

L: Ledipasvir
NS3_HCV3A

Docking Scores:
-8.36 -8.72 -8.71
Similarity Score:
N/A
Best Match:
N/A

L: Ombitasvir
NS3_HCV3A

Docking Scores:
-8.63 -8.09 -8.23
Similarity Score:
N/A
Best Match:
N/A

L: Sofosbuvir
NS3_HCV3A

Docking Scores:
-6.61 -7.23 -7.40
Similarity Score:
N/A
Best Match:
N/A

L: Elbasvir
NS5B_HCV1A

Docking Scores:
-10.02 -9.61 -9.52
Similarity Score:
35.86%
Best Match:
CHEMBL353549

L: Famciclovir
NS5B_HCV1A

Docking Scores:
-6.75 -7.05 -6.99
Similarity Score:
26.57%
Best Match:
CHEMBL353549

L: Ledipasvir
NS5B_HCV1A

Docking Scores:
-9.78 -9.22 -9.44
Similarity Score:
40.24%
Best Match:
CHEMBL3644925

L: Ombitasvir
NS5B_HCV1A

Docking Scores:
-9.98 -9.46 -9.91
Similarity Score:
53.33%
Best Match:
CHEMBL68034

L: Sofosbuvir
NS5B_HCV1A

Docking Scores:
-8.51 -8.82 -8.94
Similarity Score:
23.01%
Best Match:
CHEMBL3644940

L: Elbasvir
NS5B_HCV1B

Docking Scores:
-10.11 -10.03 -9.56
Similarity Score:
34.56%
Best Match:
CHEMBL3645182

L: Famciclovir
NS5B_HCV1B

Docking Scores:
-6.55 -7.33 -6.72
Similarity Score:
27.11%
Best Match:
CHEMBL3645211

L: Ledipasvir
NS5B_HCV1B

Docking Scores:
-10.65 -8.82 -9.53
Similarity Score:
33.75%
Best Match:
CHEMBL3645193

L: Ombitasvir
NS5B_HCV1B

Docking Scores:
-9.33 -7.89 -7.88
Similarity Score:
34.87%
Best Match:
CHEMBL3645210

L: Sofosbuvir
NS5B_HCV1B

Docking Scores:
-7.84 -8.35 -7.78
Similarity Score:
28.75%
Best Match:
CHEMBL4111989

L: Elbasvir
NS5B_HCV2A

Docking Scores:
-9.64 16.10
Similarity Score:
N/A
Best Match:
N/A

L: Famciclovir
NS5B_HCV2A

Docking Scores:
-7.84 -7.69
Similarity Score:
N/A
Best Match:
N/A

L: Ledipasvir
NS5B_HCV2A

Docking Scores:
-9.50 26.63
Similarity Score:
N/A
Best Match:
N/A

L: Ombitasvir
NS5B_HCV2A

Docking Scores:
-10.38 -4.72
Similarity Score:
N/A
Best Match:
N/A

L: Sofosbuvir
NS5B_HCV2A

Docking Scores:
-9.27 -9.02
Similarity Score:
N/A
Best Match:
N/A