Potential combinationv2 #190 Output Download CSV

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Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: Proscillaridin
NS3_HCV3A

Docking Scores:
-8.30 -8.17 -8.25
Similarity Score:
N/A
Best Match:
N/A

L: Anidulafungin
NS3_HCV3A

Docking Scores:
-8.05 -7.85 -8.63
Similarity Score:
N/A
Best Match:
N/A

L: Eltrombopag
NS3_HCV3A

Docking Scores:
-8.14 -8.09 -8.39
Similarity Score:
N/A
Best Match:
N/A

L: Imatinib
NS3_HCV3A

Docking Scores:
-8.31 -8.17 -8.39
Similarity Score:
N/A
Best Match:
N/A

L: Proscillaridin
NS5B_HCV1A

Docking Scores:
-10.57 -10.65 -10.74
Similarity Score:
20.31%
Best Match:
CHEMBL353549

L: Anidulafungin
NS5B_HCV1A

Docking Scores:
-9.36 -8.86 -9.61
Similarity Score:
46.91%
Best Match:
CHEMBL68034

L: Eltrombopag
NS5B_HCV1A

Docking Scores:
-10.05 -11.96 -12.37
Similarity Score:
26.29%
Best Match:
CHEMBL3644925

L: Imatinib
NS5B_HCV1A

Docking Scores:
-9.77 -9.55 -10.17
Similarity Score:
32.10%
Best Match:
CHEMBL353549

L: Proscillaridin
NS5B_HCV1B

Docking Scores:
-9.59 -9.40 -9.07
Similarity Score:
22.38%
Best Match:
CHEMBL3970609

L: Anidulafungin
NS5B_HCV1B

Docking Scores:
-8.70 -8.95 -8.50
Similarity Score:
36.40%
Best Match:
CHEMBL3645214

L: Eltrombopag
NS5B_HCV1B

Docking Scores:
-10.65 -9.69 -9.31
Similarity Score:
27.41%
Best Match:
CHEMBL3645191

L: Imatinib
NS5B_HCV1B

Docking Scores:
-9.50 -9.91 -9.58
Similarity Score:
32.64%
Best Match:
CHEMBL3645194

L: Proscillaridin
NS5B_HCV2A

Docking Scores:
-9.69 -8.02
Similarity Score:
N/A
Best Match:
N/A

L: Anidulafungin
NS5B_HCV2A

Docking Scores:
-11.07 15.07
Similarity Score:
N/A
Best Match:
N/A

L: Eltrombopag
NS5B_HCV2A

Docking Scores:
-12.16 -11.80
Similarity Score:
N/A
Best Match:
N/A

L: Imatinib
NS5B_HCV2A

Docking Scores:
-12.44 -7.99
Similarity Score:
N/A
Best Match:
N/A

L: Proscillaridin
NSP15_SARS

Docking Scores:
-7.45
Similarity Score:
16.36%
Best Match:
CHEMBL1092796

L: Anidulafungin
NSP15_SARS

Docking Scores:
?
Similarity Score:
?
Best Match:
?

L: Eltrombopag
NSP15_SARS

Docking Scores:
-8.45
Similarity Score:
20.18%
Best Match:
CHEMBL2441741

L: Imatinib
NSP15_SARS

Docking Scores:
-7.51
Similarity Score:
21.13%
Best Match:
CHEMBL3105073