3 drugs #235 Output Download CSV

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Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: Ebselen
ACE2_HUMAN

Docking Scores:
-7.91
Similarity Score:
31.97%
Best Match:
CHEMBL76

L: Shikonin
ACE2_HUMAN

Docking Scores:
-8.48
Similarity Score:
27.16%
Best Match:
CHEMBL252003

L: Tideglusib
ACE2_HUMAN

Docking Scores:
-9.28
Similarity Score:
21.84%
Best Match:
CHEMBL429844

L: Ebselen
GP160_HIV1

Docking Scores:
-5.24 -5.22 -6.19
Similarity Score:
N/A
Best Match:
N/A

L: Shikonin
GP160_HIV1

Docking Scores:
-6.52 -5.61 -5.87
Similarity Score:
N/A
Best Match:
N/A

L: Tideglusib
GP160_HIV1

Docking Scores:
-6.40 -6.49 -6.50
Similarity Score:
N/A
Best Match:
N/A

L: Ebselen
GP160_HIV2

Docking Scores:
-6.59
Similarity Score:
N/A
Best Match:
N/A

L: Shikonin
GP160_HIV2

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

L: Tideglusib
GP160_HIV2

Docking Scores:
-7.03
Similarity Score:
N/A
Best Match:
N/A

L: Ebselen
GP_EBOV

Docking Scores:
-7.31 -7.10 -6.52
Similarity Score:
23.14%
Best Match:
CHEMBL3125895

L: Shikonin
GP_EBOV

Docking Scores:
-7.77 -6.88 -7.52
Similarity Score:
20.49%
Best Match:
CHEMBL3125899

L: Tideglusib
GP_EBOV

Docking Scores:
-8.11 -9.12 -8.39
Similarity Score:
20.28%
Best Match:
CHEMBL3125895

L: Ebselen
HA_A-H10N7

Docking Scores:
-5.85
Similarity Score:
N/A
Best Match:
N/A

L: Shikonin
HA_A-H10N7

Docking Scores:
-6.58
Similarity Score:
N/A
Best Match:
N/A

L: Tideglusib
HA_A-H10N7

Docking Scores:
-7.35
Similarity Score:
N/A
Best Match:
N/A

L: Ebselen
HA_A-H10N8

Docking Scores:
-5.40
Similarity Score:
N/A
Best Match:
N/A

L: Shikonin
HA_A-H10N8

Docking Scores:
-6.43
Similarity Score:
N/A
Best Match:
N/A

L: Tideglusib
HA_A-H10N8

Docking Scores:
-7.05
Similarity Score:
N/A
Best Match:
N/A

L: Ebselen
HA_A-H13N6

Docking Scores:
-5.90
Similarity Score:
N/A
Best Match:
N/A

L: Shikonin
HA_A-H13N6

Docking Scores:
-6.86
Similarity Score:
N/A
Best Match:
N/A