3-DRUGS #106 Output Download CSV

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Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: Bictegravir
NS5B_HCV1A

Docking Scores:
-10.61 -9.96 -10.18
Similarity Score:
36.11%
Best Match:
CHEMBL3644880

L: Paritaprevir
NS5B_HCV1A

Docking Scores:
-11.22 -11.31 -10.32
Similarity Score:
48.76%
Best Match:
CHEMBL3644934

L: Saquinavir
NS5B_HCV1B

Docking Scores:
-9.45 -9.30 -8.99
Similarity Score:
40.47%
Best Match:
CHEMBL3645202

L: Bictegravir
NS5B_HCV1B

Docking Scores:
-9.58 -9.62 -8.92
Similarity Score:
36.31%
Best Match:
CHEMBL3645214

L: Paritaprevir
NS5B_HCV1B

Docking Scores:
-10.71 -9.09 -8.62
Similarity Score:
39.44%
Best Match:
CHEMBL3645199

L: Saquinavir
NS5B_HCV2A

Docking Scores:
-11.35 -9.51
Similarity Score:
N/A
Best Match:
N/A

L: Bictegravir
NS5B_HCV2A

Docking Scores:
-11.00 -10.69
Similarity Score:
N/A
Best Match:
N/A

L: Paritaprevir
NS5B_HCV2A

Docking Scores:
-9.32 -5.12
Similarity Score:
N/A
Best Match:
N/A

L: Saquinavir
NSP15_SARS

Docking Scores:
-3.59
Similarity Score:
47.25%
Best Match:
CHEMBL2441745

L: Bictegravir
NSP15_SARS

Docking Scores:
-8.04
Similarity Score:
24.29%
Best Match:
CHEMBL2441745

L: Paritaprevir
NSP15_SARS

Docking Scores:
17.09
Similarity Score:
26.37%
Best Match:
CHEMBL2441741

L: Saquinavir
NSP1_INFB

Docking Scores:
-6.21 -6.97
Similarity Score:
N/A
Best Match:
N/A

L: Bictegravir
NSP1_INFB

Docking Scores:
-7.15 -7.45
Similarity Score:
N/A
Best Match:
N/A

L: Paritaprevir
NSP1_INFB

Docking Scores:
-8.23 -8.87
Similarity Score:
N/A
Best Match:
N/A

L: Saquinavir
NSP1_SARS

Docking Scores:
-7.29
Similarity Score:
47.25%
Best Match:
CHEMBL2441745

L: Bictegravir
NSP1_SARS

Docking Scores:
-7.95
Similarity Score:
24.29%
Best Match:
CHEMBL2441745

L: Paritaprevir
NSP1_SARS

Docking Scores:
-2.21
Similarity Score:
26.37%
Best Match:
CHEMBL2441741

L: Saquinavir
NSP3_HCoV-229E

Docking Scores:
-10.99
Similarity Score:
N/A
Best Match:
N/A

L: Bictegravir
NSP3_HCoV-229E

Docking Scores:
-11.83
Similarity Score:
N/A
Best Match:
N/A

L: Paritaprevir
NSP3_HCoV-229E

Docking Scores:
-10.48
Similarity Score:
N/A
Best Match:
N/A