vc17 #330 Output Download CSV

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Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: 2 Coumarinate
ACE2_HUMAN

Docking Scores:
-6.43
Similarity Score:
23.81%
Best Match:
CHEMBL253224

L: 3
ACE2_HUMAN

Docking Scores:
-4.21
Similarity Score:
8.54%
Best Match:
CHEMBL401086

L: 2
ACE2_HUMAN

Docking Scores:
-5.28
Similarity Score:
24.68%
Best Match:
CHEMBL254900

L: 2 Coumarinate
GP160_HIV1

Docking Scores:
-5.31 -7.16 -6.79
Similarity Score:
N/A
Best Match:
N/A

L: 3
GP160_HIV1

Docking Scores:
-3.61 -4.66 -4.44
Similarity Score:
N/A
Best Match:
N/A

L: 2
GP160_HIV1

Docking Scores:
-5.04 -5.11 -4.21
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
GP160_HIV2

Docking Scores:
-5.25
Similarity Score:
N/A
Best Match:
N/A

L: 3
GP160_HIV2

Docking Scores:
-4.04
Similarity Score:
N/A
Best Match:
N/A

L: 2
GP160_HIV2

Docking Scores:
-4.17
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
GP_EBOV

Docking Scores:
-5.36 -5.35 -5.89
Similarity Score:
10.92%
Best Match:
CHEMBL3125895

L: 3
GP_EBOV

Docking Scores:
-4.07 -4.07 -4.22
Similarity Score:
10.94%
Best Match:
CHEMBL112570

L: 2
GP_EBOV

Docking Scores:
-4.29 -3.96 -3.98
Similarity Score:
23.33%
Best Match:
CHEMBL3125897

L: 2 Coumarinate
HA_A-H10N7

Docking Scores:
-4.97
Similarity Score:
N/A
Best Match:
N/A

L: 3
HA_A-H10N7

Docking Scores:
-3.82
Similarity Score:
N/A
Best Match:
N/A

L: 2
HA_A-H10N7

Docking Scores:
-4.18
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
HA_A-H10N8

Docking Scores:
-5.11
Similarity Score:
N/A
Best Match:
N/A

L: 3
HA_A-H10N8

Docking Scores:
-3.40
Similarity Score:
N/A
Best Match:
N/A

L: 2
HA_A-H10N8

Docking Scores:
-4.12
Similarity Score:
N/A
Best Match:
N/A

L: 2 Coumarinate
HA_A-H13N6

Docking Scores:
-5.53
Similarity Score:
N/A
Best Match:
N/A

L: 3
HA_A-H13N6

Docking Scores:
-3.56
Similarity Score:
N/A
Best Match:
N/A