test 1 #516 Output Download CSV

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Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: Remdesivir
PA_INFA

Docking Scores:
-8.30 -8.30 -7.79
Similarity Score:
25.75%
Best Match:
CHEMBL4473580

L: PubChem Remdesivir triphosphate
PA_INFA

Docking Scores:
-6.01 -6.83 -7.04
Similarity Score:
28.00%
Best Match:
CHEMBL4473580

L: Remdesivir
PA_INFB

Docking Scores:
-8.30
Similarity Score:
N/A
Best Match:
N/A

L: PubChem Remdesivir triphosphate
PA_INFB

Docking Scores:
-7.57
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
PB2_A-H3N2

Docking Scores:
-8.14 -7.25
Similarity Score:
N/A
Best Match:
N/A

L: PubChem Remdesivir triphosphate
PB2_A-H3N2

Docking Scores:
-6.37 -6.93
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
PB2_A-H5N1

Docking Scores:
-6.86 -7.14 -7.58
Similarity Score:
N/A
Best Match:
N/A

L: PubChem Remdesivir triphosphate
PB2_A-H5N1

Docking Scores:
-6.39 -6.55 -6.51
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
PB2_INFB

Docking Scores:
-7.70
Similarity Score:
N/A
Best Match:
N/A

L: PubChem Remdesivir triphosphate
PB2_INFB

Docking Scores:
-5.79
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
PB3_A-H3N2

Docking Scores:
-7.40
Similarity Score:
N/A
Best Match:
N/A

L: PubChem Remdesivir triphosphate
PB3_A-H3N2

Docking Scores:
-6.31
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
PB4_A-H3N2

Docking Scores:
-7.97
Similarity Score:
N/A
Best Match:
N/A

L: PubChem Remdesivir triphosphate
PB4_A-H3N2

Docking Scores:
-6.37
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
PLP_SARS

Docking Scores:
-9.34 -9.32 -9.07
Similarity Score:
21.38%
Best Match:
CHEMBL225515

L: PubChem Remdesivir triphosphate
PLP_SARS

Docking Scores:
-7.43 -8.41 -7.56
Similarity Score:
22.10%
Best Match:
CHEMBL225515

L: Remdesivir
PLP_SARS2

Docking Scores:
-5.97
Similarity Score:
N/A
Best Match:
N/A

L: PubChem Remdesivir triphosphate
PLP_SARS2

Docking Scores:
-6.83
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
PM_9VIRU

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

L: PubChem Remdesivir triphosphate
PM_9VIRU

Docking Scores:
-7.21 -7.43
Similarity Score:
N/A
Best Match:
N/A