New test #188 Output Download CSV

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

Docking Scores:
-10.35
Similarity Score:
40.13%
Best Match:
CHEMBL253224

L: Conivaptan
ACE2_HUMAN

Docking Scores:
-11.25
Similarity Score:
31.39%
Best Match:
CHEMBL429844

L: Tipranavir
ACE2_HUMAN

Docking Scores:
-10.42
Similarity Score:
26.78%
Best Match:
CHEMBL1240682

L: Dihydroergotamine
ACE2_HUMAN

Docking Scores:
-12.47
Similarity Score:
49.43%
Best Match:
CHEMBL1240682

L: Eltrombopag
ACE2_HUMAN

Docking Scores:
-11.09
Similarity Score:
23.20%
Best Match:
CHEMBL401397

L: Nelfinavir
GP160_HIV1

Docking Scores:
-8.02 -6.50 -5.76
Similarity Score:
N/A
Best Match:
N/A

L: Conivaptan
GP160_HIV1

Docking Scores:
-8.16 -7.85 -7.89
Similarity Score:
N/A
Best Match:
N/A

L: Tipranavir
GP160_HIV1

Docking Scores:
-7.63 -8.19 -7.51
Similarity Score:
N/A
Best Match:
N/A

L: Dihydroergotamine
GP160_HIV1

Docking Scores:
-7.71 -8.32 -7.78
Similarity Score:
N/A
Best Match:
N/A

L: Eltrombopag
GP160_HIV1

Docking Scores:
-7.68 -7.73 -8.03
Similarity Score:
N/A
Best Match:
N/A

L: Nelfinavir
GP160_HIV2

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

L: Conivaptan
GP160_HIV2

Docking Scores:
-9.14
Similarity Score:
N/A
Best Match:
N/A

L: Tipranavir
GP160_HIV2

Docking Scores:
-8.19
Similarity Score:
N/A
Best Match:
N/A

L: Dihydroergotamine
GP160_HIV2

Docking Scores:
-9.47
Similarity Score:
N/A
Best Match:
N/A

L: Eltrombopag
GP160_HIV2

Docking Scores:
-8.80
Similarity Score:
N/A
Best Match:
N/A

L: Nelfinavir
GP_EBOV

Docking Scores:
-8.34 -8.27 -8.08
Similarity Score:
38.58%
Best Match:
CHEMBL3125897

L: Conivaptan
GP_EBOV

Docking Scores:
-9.87 -10.63 -9.43
Similarity Score:
29.25%
Best Match:
CHEMBL3125895

L: Tipranavir
GP_EBOV

Docking Scores:
-8.43 -8.18 -7.95
Similarity Score:
33.98%
Best Match:
CHEMBL3125899

L: Dihydroergotamine
GP_EBOV

Docking Scores:
-9.91 -8.82 -9.39
Similarity Score:
48.23%
Best Match:
CHEMBL3125895

L: Eltrombopag
GP_EBOV

Docking Scores:
-10.05 -9.86 -8.87
Similarity Score:
19.81%
Best Match:
CHEMBL3125895