LTJv7 #83 Output Download CSV

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

Docking Scores:
-9.34 -9.04 -7.87
Similarity Score:
N/A
Best Match:
N/A

L: Darunavir
NS3_HCV3A

Docking Scores:
-7.20 -7.25 -6.96
Similarity Score:
N/A
Best Match:
N/A

L: Baloxavir marboxil
NS3_HCV3A

Docking Scores:
-7.48 -7.49 -7.05
Similarity Score:
N/A
Best Match:
N/A

L: Simeprevir
NS3_HCV3A

Docking Scores:
-7.27 -8.68 -7.68
Similarity Score:
N/A
Best Match:
N/A

L: Adefovir dipivoxil
NS3_HCV3A

Docking Scores:
-6.57 -6.42 -6.53
Similarity Score:
N/A
Best Match:
N/A

L: Bictegravir
NS5B_HCV1A

Docking Scores:
-10.61 -9.96 -10.18
Similarity Score:
36.11%
Best Match:
CHEMBL3644880

L: Darunavir
NS5B_HCV1A

Docking Scores:
-8.15 -8.55 -9.28
Similarity Score:
42.02%
Best Match:
CHEMBL3644924

L: Baloxavir marboxil
NS5B_HCV1A

Docking Scores:
-9.33 -8.87 -9.22
Similarity Score:
26.10%
Best Match:
CHEMBL353549

L: Simeprevir
NS5B_HCV1A

Docking Scores:
-11.63 -10.70 -10.62
Similarity Score:
42.12%
Best Match:
CHEMBL3644920

L: Adefovir dipivoxil
NS5B_HCV1A

Docking Scores:
-6.57 -8.33 -8.17
Similarity Score:
22.31%
Best Match:
CHEMBL353549

L: Bictegravir
NS5B_HCV1B

Docking Scores:
-9.58 -9.62 -8.92
Similarity Score:
36.31%
Best Match:
CHEMBL3645214

L: Darunavir
NS5B_HCV1B

Docking Scores:
-8.06 -8.35 -8.06
Similarity Score:
35.40%
Best Match:
CHEMBL3645211

L: Baloxavir marboxil
NS5B_HCV1B

Docking Scores:
-7.59 -7.06 -7.91
Similarity Score:
32.79%
Best Match:
CHEMBL3645182

L: Simeprevir
NS5B_HCV1B

Docking Scores:
-8.77 -9.44 -8.20
Similarity Score:
36.98%
Best Match:
CHEMBL3645202

L: Adefovir dipivoxil
NS5B_HCV1B

Docking Scores:
-6.64 -6.76 -6.17
Similarity Score:
22.94%
Best Match:
CHEMBL3970609

L: Bictegravir
NS5B_HCV2A

Docking Scores:
-11.00 -10.69
Similarity Score:
N/A
Best Match:
N/A

L: Darunavir
NS5B_HCV2A

Docking Scores:
-9.43 -8.70
Similarity Score:
N/A
Best Match:
N/A

L: Baloxavir marboxil
NS5B_HCV2A

Docking Scores:
-8.92 -5.96
Similarity Score:
N/A
Best Match:
N/A

L: Simeprevir
NS5B_HCV2A

Docking Scores:
-9.63 -5.07
Similarity Score:
N/A
Best Match:
N/A

L: Adefovir dipivoxil
NS5B_HCV2A

Docking Scores:
-8.05 -8.22
Similarity Score:
N/A
Best Match:
N/A