LTJv17 #93 Output Download CSV

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  The docking scores are in the AutoDock Vina metric.
L: 1-deoxymannojirimycin
PA_A-H1N1

Docking Scores:
-5.04 -4.97 -4.89
Similarity Score:
N/A
Best Match:
N/A

L: Etravirine
PA_A-H1N1

Docking Scores:
-8.49 -8.29 -8.12
Similarity Score:
N/A
Best Match:
N/A

L: Amprenavir
PA_A-H1N1

Docking Scores:
-8.25 -7.50 -7.31
Similarity Score:
N/A
Best Match:
N/A

L: Letermovir
PA_A-H1N1

Docking Scores:
-9.28 -8.39 -9.10
Similarity Score:
N/A
Best Match:
N/A

L: Tipranavir
PA_A-H1N1

Docking Scores:
-9.08 -8.90 -9.87
Similarity Score:
N/A
Best Match:
N/A

L: 1-deoxymannojirimycin
PA_A-H5N1

Docking Scores:
-4.93 -4.82 -5.26
Similarity Score:
N/A
Best Match:
N/A

L: Etravirine
PA_A-H5N1

Docking Scores:
-8.24 -7.69 -8.14
Similarity Score:
N/A
Best Match:
N/A

L: Amprenavir
PA_A-H5N1

Docking Scores:
-8.07 -7.49 -7.96
Similarity Score:
N/A
Best Match:
N/A

L: Letermovir
PA_A-H5N1

Docking Scores:
-9.68 -9.20 -9.38
Similarity Score:
N/A
Best Match:
N/A

L: Tipranavir
PA_A-H5N1

Docking Scores:
-8.78 -8.15 -8.43
Similarity Score:
N/A
Best Match:
N/A

L: 1-deoxymannojirimycin
PA_INFA

Docking Scores:
-4.85 -4.57 -5.12
Similarity Score:
20.95%
Best Match:
CHEMBL2040554

L: Etravirine
PA_INFA

Docking Scores:
-8.71 -7.35 -7.43
Similarity Score:
22.02%
Best Match:
CHEMBL3600948

L: Amprenavir
PA_INFA

Docking Scores:
-9.08 -7.36 -7.48
Similarity Score:
30.81%
Best Match:
CHEMBL2040640

L: Letermovir
PA_INFA

Docking Scores:
-9.21 -8.74 -9.45
Similarity Score:
22.77%
Best Match:
CHEMBL2040552

L: Tipranavir
PA_INFA

Docking Scores:
-9.16 -7.50 -8.54
Similarity Score:
34.05%
Best Match:
CHEMBL2040640

L: 1-deoxymannojirimycin
PA_INFB

Docking Scores:
-4.50
Similarity Score:
N/A
Best Match:
N/A

L: Etravirine
PA_INFB

Docking Scores:
-8.11
Similarity Score:
N/A
Best Match:
N/A

L: Amprenavir
PA_INFB

Docking Scores:
-7.79
Similarity Score:
N/A
Best Match:
N/A

L: Letermovir
PA_INFB

Docking Scores:
-8.89
Similarity Score:
N/A
Best Match:
N/A

L: Tipranavir
PA_INFB

Docking Scores:
-7.98
Similarity Score:
N/A
Best Match:
N/A