LTJv7 #83 Output Download CSV

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

Docking Scores:
-9.79 -8.65 -8.88
Similarity Score:
24.29%
Best Match:
CHEMBL2441745

L: Darunavir
PR_SARS

Docking Scores:
-7.49 -7.15 -7.57
Similarity Score:
34.91%
Best Match:
CHEMBL2441745

L: Baloxavir marboxil
PR_SARS

Docking Scores:
-7.66 -7.85 -7.10
Similarity Score:
20.36%
Best Match:
CHEMBL3105073

L: Simeprevir
PR_SARS

Docking Scores:
-7.99 -7.90 -8.72
Similarity Score:
25.42%
Best Match:
CHEMBL2441745

L: Adefovir dipivoxil
PR_SARS

Docking Scores:
-6.49 -6.80 -6.35
Similarity Score:
15.05%
Best Match:
CHEMBL2441741

L: Bictegravir
PR_SARS2

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

L: Darunavir
PR_SARS2

Docking Scores:
-7.71
Similarity Score:
N/A
Best Match:
N/A

L: Baloxavir marboxil
PR_SARS2

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

L: Simeprevir
PR_SARS2

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

L: Adefovir dipivoxil
PR_SARS2

Docking Scores:
-6.74
Similarity Score:
N/A
Best Match:
N/A

L: Bictegravir
PR_TGEV

Docking Scores:
-8.53
Similarity Score:
N/A
Best Match:
N/A

L: Darunavir
PR_TGEV

Docking Scores:
-7.53
Similarity Score:
N/A
Best Match:
N/A

L: Baloxavir marboxil
PR_TGEV

Docking Scores:
-7.65
Similarity Score:
N/A
Best Match:
N/A

L: Simeprevir
PR_TGEV

Docking Scores:
-8.75
Similarity Score:
N/A
Best Match:
N/A

L: Adefovir dipivoxil
PR_TGEV

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

L: Bictegravir
RT_HIV1

Docking Scores:
-11.02 -11.90 -10.85
Similarity Score:
30.95%
Best Match:
CHEMBL4109767

L: Darunavir
RT_HIV1

Docking Scores:
-9.41 -8.97 -9.72
Similarity Score:
55.50%
Best Match:
CHEMBL3683710

L: Baloxavir marboxil
RT_HIV1

Docking Scores:
-7.26 -6.55 -5.75
Similarity Score:
31.09%
Best Match:
CHEMBL4108135

L: Simeprevir
RT_HIV1

Docking Scores:
-9.12 -7.38 -8.15
Similarity Score:
37.08%
Best Match:
CHEMBL3683705

L: Adefovir dipivoxil
RT_HIV1

Docking Scores:
-7.10 -7.96 -7.41
Similarity Score:
25.38%
Best Match:
CHEMBL4288759