3-DRUGS #106 Output Download CSV

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Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: Bictegravir
PLP_SARS

Docking Scores:
-10.77 -10.34 -10.68
Similarity Score:
29.32%
Best Match:
CHEMBL213054

L: Paritaprevir
PLP_SARS

Docking Scores:
-10.91 -8.75 -8.89
Similarity Score:
31.83%
Best Match:
CHEMBL212080

L: Saquinavir
PR_FCoV

Docking Scores:
-8.42
Similarity Score:
N/A
Best Match:
N/A

L: Bictegravir
PR_FCoV

Docking Scores:
-9.64
Similarity Score:
N/A
Best Match:
N/A

L: Paritaprevir
PR_FCoV

Docking Scores:
-8.67
Similarity Score:
N/A
Best Match:
N/A

L: Saquinavir
PR_HCoV-229E

Docking Scores:
-8.25 -8.09
Similarity Score:
N/A
Best Match:
N/A

L: Bictegravir
PR_HCoV-229E

Docking Scores:
-9.47 -8.63
Similarity Score:
N/A
Best Match:
N/A

L: Paritaprevir
PR_HCoV-229E

Docking Scores:
-8.69 -8.86
Similarity Score:
N/A
Best Match:
N/A

L: Saquinavir
PR_HCoV-NL63

Docking Scores:
-5.49 -8.90
Similarity Score:
N/A
Best Match:
N/A

L: Bictegravir
PR_HCoV-NL63

Docking Scores:
-5.32 -9.41
Similarity Score:
N/A
Best Match:
N/A

L: Paritaprevir
PR_HCoV-NL63

Docking Scores:
-6.04 -10.07
Similarity Score:
N/A
Best Match:
N/A

L: Saquinavir
PR_HIV1

Docking Scores:
-7.62 -7.95 -7.93
Similarity Score:
31.65%
Best Match:
CHEMBL492666

L: Bictegravir
PR_HIV1

Docking Scores:
-8.39 -8.43 -7.97
Similarity Score:
25.83%
Best Match:
CHEMBL3645128

L: Paritaprevir
PR_HIV1

Docking Scores:
-8.17 -8.42 -8.13
Similarity Score:
28.62%
Best Match:
CHEMBL492666

L: Saquinavir
PR_HIV2

Docking Scores:
-7.61 -8.12
Similarity Score:
N/A
Best Match:
N/A

L: Bictegravir
PR_HIV2

Docking Scores:
-8.90 -8.45
Similarity Score:
N/A
Best Match:
N/A

L: Paritaprevir
PR_HIV2

Docking Scores:
-8.94 -8.72
Similarity Score:
N/A
Best Match:
N/A

L: Saquinavir
PR_HKU1

Docking Scores:
-8.80
Similarity Score:
N/A
Best Match:
N/A

L: Bictegravir
PR_HKU1

Docking Scores:
-8.52
Similarity Score:
N/A
Best Match:
N/A

L: Paritaprevir
PR_HKU1

Docking Scores:
-8.17
Similarity Score:
N/A
Best Match:
N/A