Potential combinationv2 #190 Output Download CSV

View All
Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: Proscillaridin
PR_SARS

Docking Scores:
-8.58 -9.03 -8.43
Similarity Score:
16.36%
Best Match:
CHEMBL1092796

L: Anidulafungin
PR_SARS

Docking Scores:
-7.69 -7.38 -8.09
Similarity Score:
44.32%
Best Match:
CHEMBL2441741

L: Eltrombopag
PR_SARS

Docking Scores:
-9.10 -9.11 -8.03
Similarity Score:
20.18%
Best Match:
CHEMBL2441741

L: Imatinib
PR_SARS

Docking Scores:
-8.37 -7.86 -9.16
Similarity Score:
21.13%
Best Match:
CHEMBL3105073

L: Proscillaridin
PR_SARS2

Docking Scores:
-8.57
Similarity Score:
N/A
Best Match:
N/A

L: Anidulafungin
PR_SARS2

Docking Scores:
-8.68
Similarity Score:
N/A
Best Match:
N/A

L: Eltrombopag
PR_SARS2

Docking Scores:
-8.73
Similarity Score:
N/A
Best Match:
N/A

L: Imatinib
PR_SARS2

Docking Scores:
-8.95
Similarity Score:
N/A
Best Match:
N/A

L: Proscillaridin
PR_TGEV

Docking Scores:
-8.41
Similarity Score:
N/A
Best Match:
N/A

L: Anidulafungin
PR_TGEV

Docking Scores:
-7.88
Similarity Score:
N/A
Best Match:
N/A

L: Eltrombopag
PR_TGEV

Docking Scores:
-9.76
Similarity Score:
N/A
Best Match:
N/A

L: Imatinib
PR_TGEV

Docking Scores:
-8.73
Similarity Score:
N/A
Best Match:
N/A

L: Proscillaridin
RDRP_SARS2

Docking Scores:
-8.58
Similarity Score:
18.96%
Best Match:
CHEMBL4065616

L: Anidulafungin
RDRP_SARS2

Docking Scores:
-8.26
Similarity Score:
21.89%
Best Match:
CHEMBL4065616

L: Eltrombopag
RDRP_SARS2

Docking Scores:
-8.19
Similarity Score:
18.31%
Best Match:
CHEMBL4065616

L: Imatinib
RDRP_SARS2

Docking Scores:
-7.61
Similarity Score:
20.00%
Best Match:
CHEMBL4065616

L: Proscillaridin
RT_HIV1

Docking Scores:
-10.92 -9.86 -9.48
Similarity Score:
29.63%
Best Match:
CHEMBL3775172

L: Anidulafungin
RT_HIV1

Docking Scores:
40.17 15.45 ?
Similarity Score:
?
Best Match:
?

L: Eltrombopag
RT_HIV1

Docking Scores:
-10.85 -10.18 -10.47
Similarity Score:
28.57%
Best Match:
CHEMBL4227382

L: Imatinib
RT_HIV1

Docking Scores:
-10.60 -10.21 -9.50
Similarity Score:
38.83%
Best Match:
CHEMBL4288759