LTJv2 #78 Output Download CSV

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

Docking Scores:
-5.45 -5.07 -5.20
Similarity Score:
N/A
Best Match:
N/A

L: zanamivir
NS3_HCV3A

Docking Scores:
-6.43 -6.53 -6.30
Similarity Score:
N/A
Best Match:
N/A

L: Laninamivir
NS3_HCV3A

Docking Scores:
-5.52 -5.59 -5.89
Similarity Score:
N/A
Best Match:
N/A

L: oseltamivir
NS3_HCV3A

Docking Scores:
-5.85 -6.13 -5.81
Similarity Score:
N/A
Best Match:
N/A

L: baloxavir
NS3_HCV3A

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

L: Captopril
NS5B_HCV1A

Docking Scores:
-5.48 -5.50 -5.35
Similarity Score:
45.16%
Best Match:
CHEMBL13443

L: zanamivir
NS5B_HCV1A

Docking Scores:
-6.40 -6.84 -6.78
Similarity Score:
26.37%
Best Match:
CHEMBL163917

L: Laninamivir
NS5B_HCV1A

Docking Scores:
-6.74 -6.82 -6.84
Similarity Score:
29.35%
Best Match:
CHEMBL3644906

L: oseltamivir
NS5B_HCV1A

Docking Scores:
-6.20 -6.41 -6.71
Similarity Score:
32.87%
Best Match:
CHEMBL13443

L: baloxavir
NS5B_HCV1A

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

L: Captopril
NS5B_HCV1B

Docking Scores:
-5.26 -5.45 -5.40
Similarity Score:
18.69%
Best Match:
CHEMBL3645210

L: zanamivir
NS5B_HCV1B

Docking Scores:
-6.78 -6.98 -6.28
Similarity Score:
20.83%
Best Match:
CHEMBL3645214

L: Laninamivir
NS5B_HCV1B

Docking Scores:
-6.31 -6.89 -6.51
Similarity Score:
22.26%
Best Match:
CHEMBL3645214

L: oseltamivir
NS5B_HCV1B

Docking Scores:
-6.36 -6.30 -6.41
Similarity Score:
22.18%
Best Match:
CHEMBL3645202

L: baloxavir
NS5B_HCV1B

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

L: Captopril
NS5B_HCV2A

Docking Scores:
-6.17 -6.43
Similarity Score:
N/A
Best Match:
N/A

L: zanamivir
NS5B_HCV2A

Docking Scores:
-7.32 -6.53
Similarity Score:
N/A
Best Match:
N/A

L: Laninamivir
NS5B_HCV2A

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

L: oseltamivir
NS5B_HCV2A

Docking Scores:
-7.46 -7.66
Similarity Score:
N/A
Best Match:
N/A

L: baloxavir
NS5B_HCV2A

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