Yixuan's drug11-virus-ckb2 #373 Output Download CSV

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Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: Remdesivir
PR_FCoV

Docking Scores:
-7.51
Similarity Score:
18.65%
Best Match:
CHEMBL4214471

L: Telaprevir
PR_FCoV

Docking Scores:
-8.03
Similarity Score:
36.49%
Best Match:
CHEMBL4214066

L: Boceprevir
PR_FCoV

Docking Scores:
-7.80
Similarity Score:
46.85%
Best Match:
CHEMBL4214066

L: Narlaprevir
PR_FCoV

Docking Scores:
-7.74
Similarity Score:
39.16%
Best Match:
CHEMBL4214066

L: Remdesivir
PR_HCoV-229E

Docking Scores:
-7.38 -6.56
Similarity Score:
N/A
Best Match:
N/A

L: Telaprevir
PR_HCoV-229E

Docking Scores:
-7.42 -7.75
Similarity Score:
N/A
Best Match:
N/A

L: Boceprevir
PR_HCoV-229E

Docking Scores:
-7.74 -7.50
Similarity Score:
N/A
Best Match:
N/A

L: Narlaprevir
PR_HCoV-229E

Docking Scores:
-6.84 -7.25
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
PR_HCoV-NL63

Docking Scores:
-4.63 -7.74
Similarity Score:
N/A
Best Match:
N/A

L: Telaprevir
PR_HCoV-NL63

Docking Scores:
-5.51 -8.44
Similarity Score:
N/A
Best Match:
N/A

L: Boceprevir
PR_HCoV-NL63

Docking Scores:
-4.56 -7.78
Similarity Score:
N/A
Best Match:
N/A

L: Narlaprevir
PR_HCoV-NL63

Docking Scores:
-4.41 -7.32
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
PR_HIV1

Docking Scores:
-6.62 -7.13 -6.53
Similarity Score:
22.62%
Best Match:
CHEMBL3645127

L: Telaprevir
PR_HIV1

Docking Scores:
-7.04 -7.03 -7.24
Similarity Score:
20.48%
Best Match:
CHEMBL492666

L: Boceprevir
PR_HIV1

Docking Scores:
-6.21 -6.65 -6.14
Similarity Score:
18.23%
Best Match:
CHEMBL492666

L: Narlaprevir
PR_HIV1

Docking Scores:
-6.57 -6.42 -6.93
Similarity Score:
19.62%
Best Match:
CHEMBL492666

L: Remdesivir
PR_HIV2

Docking Scores:
-6.85 -6.45
Similarity Score:
N/A
Best Match:
N/A

L: Telaprevir
PR_HIV2

Docking Scores:
-7.57 -7.31
Similarity Score:
N/A
Best Match:
N/A

L: Boceprevir
PR_HIV2

Docking Scores:
-7.13 -6.60
Similarity Score:
N/A
Best Match:
N/A

L: Narlaprevir
PR_HIV2

Docking Scores:
-7.91 -6.70
Similarity Score:
N/A
Best Match:
N/A