LTJv14 #90 Output Download CSV

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

Docking Scores:
-6.66 -6.52 -6.75
Similarity Score:
N/A
Best Match:
N/A

L: Daclatasvir
NS3_HCV3A

Docking Scores:
-7.90 -8.93 -8.41
Similarity Score:
N/A
Best Match:
N/A

L: Amantadine
NS3_HCV3A

Docking Scores:
-5.46 -5.28 -5.61
Similarity Score:
N/A
Best Match:
N/A

L: Ritonavir
NS3_HCV3A

Docking Scores:
-6.83 -6.62 -6.01
Similarity Score:
N/A
Best Match:
N/A

L: Tenofovir alafenamide
NS3_HCV3A

Docking Scores:
-6.71 -6.96 -6.82
Similarity Score:
N/A
Best Match:
N/A

L: Elvitegravir
NS5B_HCV1A

Docking Scores:
-8.52 -8.82 -8.74
Similarity Score:
36.87%
Best Match:
CHEMBL363650

L: Daclatasvir
NS5B_HCV1A

Docking Scores:
-9.70 -8.97 -9.54
Similarity Score:
43.65%
Best Match:
CHEMBL3644925

L: Amantadine
NS5B_HCV1A

Docking Scores:
-5.77 -5.30 -5.37
Similarity Score:
13.19%
Best Match:
CHEMBL320324

L: Ritonavir
NS5B_HCV1A

Docking Scores:
-8.33 -9.63 -9.37
Similarity Score:
39.62%
Best Match:
CHEMBL3644878

L: Tenofovir alafenamide
NS5B_HCV1A

Docking Scores:
-7.22 -7.62 -8.26
Similarity Score:
20.87%
Best Match:
CHEMBL3644940

L: Elvitegravir
NS5B_HCV1B

Docking Scores:
-8.11 -8.01 -7.72
Similarity Score:
35.95%
Best Match:
CHEMBL3645180

L: Daclatasvir
NS5B_HCV1B

Docking Scores:
-9.90 -8.89 -8.64
Similarity Score:
26.50%
Best Match:
CHEMBL3422106

L: Amantadine
NS5B_HCV1B

Docking Scores:
-6.11 -5.76 -5.70
Similarity Score:
6.40%
Best Match:
CHEMBL213832

L: Ritonavir
NS5B_HCV1B

Docking Scores:
-7.48 -8.24 -9.06
Similarity Score:
35.65%
Best Match:
CHEMBL3422108

L: Tenofovir alafenamide
NS5B_HCV1B

Docking Scores:
-7.61 -7.53 -7.52
Similarity Score:
23.15%
Best Match:
CHEMBL4111989

L: Elvitegravir
NS5B_HCV2A

Docking Scores:
-9.45 -7.85
Similarity Score:
N/A
Best Match:
N/A

L: Daclatasvir
NS5B_HCV2A

Docking Scores:
-8.93 -5.85
Similarity Score:
N/A
Best Match:
N/A

L: Amantadine
NS5B_HCV2A

Docking Scores:
-6.65 -6.61
Similarity Score:
N/A
Best Match:
N/A

L: Ritonavir
NS5B_HCV2A

Docking Scores:
-9.02 -7.41
Similarity Score:
N/A
Best Match:
N/A

L: Tenofovir alafenamide
NS5B_HCV2A

Docking Scores:
-8.96 -9.23
Similarity Score:
N/A
Best Match:
N/A