LTJv4 #80 Output Download CSV

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

Docking Scores:
-5.88 -5.90 -5.85
Similarity Score:
N/A
Best Match:
N/A

L: Indomethacin
NS3_HCV3A

Docking Scores:
-6.79 -6.47 -6.20
Similarity Score:
N/A
Best Match:
N/A

L: Ibuprofen
NS3_HCV3A

Docking Scores:
-6.32 -5.77 -5.78
Similarity Score:
N/A
Best Match:
N/A

L: Fenbufen
NS3_HCV3A

Docking Scores:
-6.74 -6.77 -6.78
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: Acetylsalicylic acid
NS5B_HCV1A

Docking Scores:
-6.13 -7.39 -7.02
Similarity Score:
31.30%
Best Match:
CHEMBL446360

L: Indomethacin
NS5B_HCV1A

Docking Scores:
-7.86 -8.18 -8.09
Similarity Score:
38.16%
Best Match:
CHEMBL353549

L: Ibuprofen
NS5B_HCV1A

Docking Scores:
-6.13 -7.30 -7.56
Similarity Score:
33.33%
Best Match:
CHEMBL367415

L: Fenbufen
NS5B_HCV1A

Docking Scores:
-7.43 -8.14 -8.29
Similarity Score:
58.14%
Best Match:
CHEMBL367415

L: Ritonavir
NS5B_HCV1A

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

L: Acetylsalicylic acid
NS5B_HCV1B

Docking Scores:
-5.75 -6.16 -5.93
Similarity Score:
19.70%
Best Match:
CHEMBL3645180

L: Indomethacin
NS5B_HCV1B

Docking Scores:
-7.79 -7.59 -7.15
Similarity Score:
35.86%
Best Match:
CHEMBL3645208

L: Ibuprofen
NS5B_HCV1B

Docking Scores:
-6.90 -6.44 -5.93
Similarity Score:
15.64%
Best Match:
CHEMBL3645203

L: Fenbufen
NS5B_HCV1B

Docking Scores:
-7.63 -7.27 -7.37
Similarity Score:
21.43%
Best Match:
CHEMBL213832

L: Ritonavir
NS5B_HCV1B

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

L: Acetylsalicylic acid
NS5B_HCV2A

Docking Scores:
-6.63 -6.55
Similarity Score:
N/A
Best Match:
N/A

L: Indomethacin
NS5B_HCV2A

Docking Scores:
-8.29 -8.63
Similarity Score:
N/A
Best Match:
N/A

L: Ibuprofen
NS5B_HCV2A

Docking Scores:
-7.57 -6.78
Similarity Score:
N/A
Best Match:
N/A

L: Fenbufen
NS5B_HCV2A

Docking Scores:
-8.16 -8.26
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