case_study_1_1 #497 Output Download CSV

View All
Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: Remdesivir
PR_FCoV

Docking Scores:
-7.51
Similarity Score:
18.65%
Best Match:
CHEMBL4214471

L: Remdesivir triphosphate
PR_FCoV

Docking Scores:
-6.95
Similarity Score:
19.38%
Best Match:
CHEMBL4214471

L: Remdesivir
PR_HCoV-229E

Docking Scores:
-7.38 -6.56
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir triphosphate
PR_HCoV-229E

Docking Scores:
-6.74 -6.66
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
PR_HCoV-NL63

Docking Scores:
-4.63 -7.74
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir triphosphate
PR_HCoV-NL63

Docking Scores:
-4.55 -6.82
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
PR_HIV1

Docking Scores:
-6.62 -7.13 -6.53
Similarity Score:
22.62%
Best Match:
CHEMBL3645127

L: Remdesivir triphosphate
PR_HIV1

Docking Scores:
-5.12 -6.12 -6.32
Similarity Score:
24.48%
Best Match:
CHEMBL510485

L: Remdesivir
PR_HIV2

Docking Scores:
-6.85 -6.45
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir triphosphate
PR_HIV2

Docking Scores:
-6.38 -6.23
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
PR_HKU1

Docking Scores:
-6.98
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir triphosphate
PR_HKU1

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

L: Remdesivir
PR_HKU4

Docking Scores:
-6.74 -6.94 -7.02
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir triphosphate
PR_HKU4

Docking Scores:
-6.67 -6.99 -6.17
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
PR_IBV

Docking Scores:
-7.62
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir triphosphate
PR_IBV

Docking Scores:
-6.91
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
PR_MERs

Docking Scores:
-7.37 -7.91
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir triphosphate
PR_MERs

Docking Scores:
-6.30 -6.70
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
PR_PEDV

Docking Scores:
-7.62
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir triphosphate
PR_PEDV

Docking Scores:
-7.20
Similarity Score:
N/A
Best Match:
N/A