Yixuan's drug11-virus-ckb2 #373 Output Download CSV

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Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: Remdesivir
PB3_A-H3N2

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

L: Telaprevir
PB3_A-H3N2

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

L: Boceprevir
PB3_A-H3N2

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

L: Narlaprevir
PB3_A-H3N2

Docking Scores:
-6.51
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: Telaprevir
PB4_A-H3N2

Docking Scores:
-8.10
Similarity Score:
N/A
Best Match:
N/A

L: Boceprevir
PB4_A-H3N2

Docking Scores:
-7.79
Similarity Score:
N/A
Best Match:
N/A

L: Narlaprevir
PB4_A-H3N2

Docking Scores:
-7.82
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: Telaprevir
PLP_SARS

Docking Scores:
-8.89 -8.92 -8.71
Similarity Score:
34.50%
Best Match:
CHEMBL213054

L: Boceprevir
PLP_SARS

Docking Scores:
-6.91 -7.68 -8.00
Similarity Score:
38.41%
Best Match:
CHEMBL213054

L: Narlaprevir
PLP_SARS

Docking Scores:
-8.14 -6.65 -7.87
Similarity Score:
33.53%
Best Match:
CHEMBL213054

L: Remdesivir
PLP_SARS2

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

L: Telaprevir
PLP_SARS2

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

L: Boceprevir
PLP_SARS2

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

L: Narlaprevir
PLP_SARS2

Docking Scores:
-6.86
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: Telaprevir
PM_9VIRU

Docking Scores:
-8.54 -7.35
Similarity Score:
N/A
Best Match:
N/A

L: Boceprevir
PM_9VIRU

Docking Scores:
-8.00 -7.79
Similarity Score:
N/A
Best Match:
N/A

L: Narlaprevir
PM_9VIRU

Docking Scores:
-7.45 -7.59
Similarity Score:
N/A
Best Match:
N/A