3 drugs #235 Output Download CSV

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Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: Shikonin
NS3_HCV1A

Docking Scores:
-6.96 -6.45 -7.45
Similarity Score:
29.65%
Best Match:
CHEMBL3951374

L: Tideglusib
NS3_HCV1A

Docking Scores:
-6.61 -7.02 -9.16
Similarity Score:
21.88%
Best Match:
CHEMBL4110215

L: Ebselen
NS3_HCV1B

Docking Scores:
-6.80 -7.31 -5.88
Similarity Score:
19.47%
Best Match:
CHEMBL1170417

L: Shikonin
NS3_HCV1B

Docking Scores:
-7.70 -7.60 -6.60
Similarity Score:
20.12%
Best Match:
CHEMBL3927196

L: Tideglusib
NS3_HCV1B

Docking Scores:
-9.12 -8.05 -7.22
Similarity Score:
20.06%
Best Match:
CHEMBL297884

L: Ebselen
NS3_HCV3A

Docking Scores:
-7.58 -7.40 -7.28
Similarity Score:
N/A
Best Match:
N/A

L: Shikonin
NS3_HCV3A

Docking Scores:
-7.10 -7.12 -7.40
Similarity Score:
N/A
Best Match:
N/A

L: Tideglusib
NS3_HCV3A

Docking Scores:
-7.67 -7.61 -7.54
Similarity Score:
N/A
Best Match:
N/A

L: Ebselen
NS5B_HCV1A

Docking Scores:
-6.96 -7.62 -7.62
Similarity Score:
24.22%
Best Match:
CHEMBL363650

L: Shikonin
NS5B_HCV1A

Docking Scores:
-7.82 -8.96 -8.52
Similarity Score:
35.10%
Best Match:
CHEMBL446360

L: Tideglusib
NS5B_HCV1A

Docking Scores:
-8.03 -9.30 -9.50
Similarity Score:
21.74%
Best Match:
CHEMBL363650

L: Ebselen
NS5B_HCV1B

Docking Scores:
-6.79 -7.20 -7.41
Similarity Score:
23.71%
Best Match:
CHEMBL99408

L: Shikonin
NS5B_HCV1B

Docking Scores:
-7.57 -7.56 -7.57
Similarity Score:
20.53%
Best Match:
CHEMBL3645197

L: Tideglusib
NS5B_HCV1B

Docking Scores:
-8.58 -9.21 -8.64
Similarity Score:
21.53%
Best Match:
CHEMBL3645202

L: Ebselen
NS5B_HCV2A

Docking Scores:
-7.95 -7.75
Similarity Score:
N/A
Best Match:
N/A

L: Shikonin
NS5B_HCV2A

Docking Scores:
-8.80 -8.35
Similarity Score:
N/A
Best Match:
N/A

L: Tideglusib
NS5B_HCV2A

Docking Scores:
-10.62 -10.23
Similarity Score:
N/A
Best Match:
N/A

L: Ebselen
NSP15_SARS

Docking Scores:
-5.96
Similarity Score:
22.99%
Best Match:
CHEMBL3105073

L: Shikonin
NSP15_SARS

Docking Scores:
-6.87
Similarity Score:
21.90%
Best Match:
CHEMBL1092796

L: Tideglusib
NSP15_SARS

Docking Scores:
-7.42
Similarity Score:
20.00%
Best Match:
CHEMBL2441745