1 #259 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: Rosmarinic acid
ACE2_HUMAN

Docking Scores:
-8.12
Similarity Score:
32.33%
Best Match:
CHEMBL253224

L: Hyperoside
ACE2_HUMAN

Docking Scores:
-9.83
Similarity Score:
20.59%
Best Match:
CHEMBL254495

L: Quercetin
ACE2_HUMAN

Docking Scores:
-8.99
Similarity Score:
17.51%
Best Match:
CHEMBL254495

L: Luteolin
ACE2_HUMAN

Docking Scores:
-8.81
Similarity Score:
18.79%
Best Match:
CHEMBL254495

L: protocatechuic acid
ACE2_HUMAN

Docking Scores:
-5.79
Similarity Score:
24.78%
Best Match:
CHEMBL254703

L: Rosmarinic acid
GP160_HIV1

Docking Scores:
-7.96 -8.29 -8.08
Similarity Score:
N/A
Best Match:
N/A

L: Hyperoside
GP160_HIV1

Docking Scores:
-7.37 -7.11 -7.11
Similarity Score:
N/A
Best Match:
N/A

L: Quercetin
GP160_HIV1

Docking Scores:
-6.77 -6.62 -6.77
Similarity Score:
N/A
Best Match:
N/A

L: Luteolin
GP160_HIV1

Docking Scores:
-6.40 -6.15 -6.17
Similarity Score:
N/A
Best Match:
N/A

L: protocatechuic acid
GP160_HIV1

Docking Scores:
-5.87 -6.48 -6.62
Similarity Score:
N/A
Best Match:
N/A

L: Rosmarinic acid
GP160_HIV2

Docking Scores:
-6.09
Similarity Score:
N/A
Best Match:
N/A

L: Hyperoside
GP160_HIV2

Docking Scores:
-7.37
Similarity Score:
N/A
Best Match:
N/A

L: Quercetin
GP160_HIV2

Docking Scores:
-6.95
Similarity Score:
N/A
Best Match:
N/A

L: Luteolin
GP160_HIV2

Docking Scores:
-7.11
Similarity Score:
N/A
Best Match:
N/A

L: protocatechuic acid
GP160_HIV2

Docking Scores:
-6.75
Similarity Score:
N/A
Best Match:
N/A

L: Rosmarinic acid
GP_EBOV

Docking Scores:
-6.66 -7.38 -7.11
Similarity Score:
18.77%
Best Match:
CHEMBL3125895

L: Hyperoside
GP_EBOV

Docking Scores:
-7.49 -7.18 -6.89
Similarity Score:
18.57%
Best Match:
CHEMBL3125899

L: Quercetin
GP_EBOV

Docking Scores:
-7.53 -6.99 -7.18
Similarity Score:
12.24%
Best Match:
CHEMBL3125895

L: Luteolin
GP_EBOV

Docking Scores:
-7.30 -7.20 -7.23
Similarity Score:
11.96%
Best Match:
CHEMBL3125895

L: protocatechuic acid
GP_EBOV

Docking Scores:
-5.77 -4.75 -5.47
Similarity Score:
13.16%
Best Match:
CHEMBL3125895