LTJv4 #80 Output Download CSV

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  The docking scores are in the AutoDock Vina metric.
L: Acetylsalicylic acid
PA_A-H1N1

Docking Scores:
-5.40 -5.84 -5.35
Similarity Score:
N/A
Best Match:
N/A

L: Indomethacin
PA_A-H1N1

Docking Scores:
-7.50 -8.07 -7.93
Similarity Score:
N/A
Best Match:
N/A

L: Ibuprofen
PA_A-H1N1

Docking Scores:
-6.04 -6.04 -5.88
Similarity Score:
N/A
Best Match:
N/A

L: Fenbufen
PA_A-H1N1

Docking Scores:
-6.68 -7.21 -7.18
Similarity Score:
N/A
Best Match:
N/A

L: Ritonavir
PA_A-H1N1

Docking Scores:
-8.90 -8.39 -8.29
Similarity Score:
N/A
Best Match:
N/A

L: Acetylsalicylic acid
PA_A-H5N1

Docking Scores:
-5.93 -5.72 -5.50
Similarity Score:
N/A
Best Match:
N/A

L: Indomethacin
PA_A-H5N1

Docking Scores:
-7.41 -7.76 -7.84
Similarity Score:
N/A
Best Match:
N/A

L: Ibuprofen
PA_A-H5N1

Docking Scores:
-6.36 -6.14 -6.19
Similarity Score:
N/A
Best Match:
N/A

L: Fenbufen
PA_A-H5N1

Docking Scores:
-7.17 -6.95 -6.75
Similarity Score:
N/A
Best Match:
N/A

L: Ritonavir
PA_A-H5N1

Docking Scores:
-8.45 -8.39 -7.69
Similarity Score:
N/A
Best Match:
N/A

L: Acetylsalicylic acid
PA_INFA

Docking Scores:
-6.82 -5.39 -5.44
Similarity Score:
39.56%
Best Match:
CHEMBL3600947

L: Indomethacin
PA_INFA

Docking Scores:
-8.36 -7.69 -7.80
Similarity Score:
29.48%
Best Match:
CHEMBL2040586

L: Ibuprofen
PA_INFA

Docking Scores:
-7.27 -5.65 -5.75
Similarity Score:
32.88%
Best Match:
CHEMBL1829211

L: Fenbufen
PA_INFA

Docking Scores:
-8.64 -6.36 -7.04
Similarity Score:
46.75%
Best Match:
CHEMBL1829211

L: Ritonavir
PA_INFA

Docking Scores:
-8.63 -7.88 -7.61
Similarity Score:
28.68%
Best Match:
CHEMBL2040640

L: Acetylsalicylic acid
PA_INFB

Docking Scores:
-5.67
Similarity Score:
N/A
Best Match:
N/A

L: Indomethacin
PA_INFB

Docking Scores:
-7.10
Similarity Score:
N/A
Best Match:
N/A

L: Ibuprofen
PA_INFB

Docking Scores:
-5.76
Similarity Score:
N/A
Best Match:
N/A

L: Fenbufen
PA_INFB

Docking Scores:
-6.60
Similarity Score:
N/A
Best Match:
N/A

L: Ritonavir
PA_INFB

Docking Scores:
-7.47
Similarity Score:
N/A
Best Match:
N/A