LTJv8 #84 Output Download CSV

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

Docking Scores:
-7.83 -7.99 -7.84
Similarity Score:
N/A
Best Match:
N/A

L: Telaprevir
NS3_HCV3A

Docking Scores:
-8.12 -7.60 -7.42
Similarity Score:
N/A
Best Match:
N/A

L: Idoxuridine
NS3_HCV3A

Docking Scores:
-6.31 -5.98 -6.30
Similarity Score:
N/A
Best Match:
N/A

L: Nevirapine
NS3_HCV3A

Docking Scores:
-7.26 -6.83 -7.20
Similarity Score:
N/A
Best Match:
N/A

L: Rimantadine
NS3_HCV3A

Docking Scores:
-6.29 -6.07 -6.08
Similarity Score:
N/A
Best Match:
N/A

L: Dasabuvir
NS5B_HCV1A

Docking Scores:
-9.63 -9.42 -9.69
Similarity Score:
31.15%
Best Match:
CHEMBL353549

L: Telaprevir
NS5B_HCV1A

Docking Scores:
-8.94 -8.92 -8.81
Similarity Score:
88.43%
Best Match:
CHEMBL13256

L: Idoxuridine
NS5B_HCV1A

Docking Scores:
-6.28 -6.60 -6.46
Similarity Score:
21.67%
Best Match:
CHEMBL353549

L: Nevirapine
NS5B_HCV1A

Docking Scores:
-7.33 -7.97 -8.11
Similarity Score:
33.17%
Best Match:
CHEMBL353549

L: Rimantadine
NS5B_HCV1A

Docking Scores:
-6.36 -5.78 -5.62
Similarity Score:
13.19%
Best Match:
CHEMBL320324

L: Dasabuvir
NS5B_HCV1B

Docking Scores:
-9.30 -7.49 -8.07
Similarity Score:
37.97%
Best Match:
CHEMBL3645180

L: Telaprevir
NS5B_HCV1B

Docking Scores:
-9.60 -7.70 -8.33
Similarity Score:
29.25%
Best Match:
CHEMBL3645202

L: Idoxuridine
NS5B_HCV1B

Docking Scores:
-6.24 -6.05 -6.11
Similarity Score:
19.70%
Best Match:
CHEMBL3645211

L: Nevirapine
NS5B_HCV1B

Docking Scores:
-7.29 -7.69 -7.52
Similarity Score:
25.64%
Best Match:
CHEMBL3645200

L: Rimantadine
NS5B_HCV1B

Docking Scores:
-6.58 -6.77 -6.20
Similarity Score:
6.40%
Best Match:
CHEMBL213832

L: Dasabuvir
NS5B_HCV2A

Docking Scores:
-10.43 -9.58
Similarity Score:
N/A
Best Match:
N/A

L: Telaprevir
NS5B_HCV2A

Docking Scores:
-8.15 -5.42
Similarity Score:
N/A
Best Match:
N/A

L: Idoxuridine
NS5B_HCV2A

Docking Scores:
-6.91 -7.30
Similarity Score:
N/A
Best Match:
N/A

L: Nevirapine
NS5B_HCV2A

Docking Scores:
-8.23 -8.55
Similarity Score:
N/A
Best Match:
N/A

L: Rimantadine
NS5B_HCV2A

Docking Scores:
-7.54 -7.31
Similarity Score:
N/A
Best Match:
N/A