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
RDRP_SARS2

Docking Scores:
-6.24
Similarity Score:
100.00%
Best Match:
CHEMBL4065616

L: Telaprevir
RDRP_SARS2

Docking Scores:
-7.30
Similarity Score:
14.55%
Best Match:
CHEMBL4065616

L: Boceprevir
RDRP_SARS2

Docking Scores:
-6.62
Similarity Score:
8.88%
Best Match:
CHEMBL4065616

L: Narlaprevir
RDRP_SARS2

Docking Scores:
-6.77
Similarity Score:
10.88%
Best Match:
CHEMBL4065616

L: Remdesivir
RT_HIV1

Docking Scores:
-8.97 -9.30 -8.71
Similarity Score:
28.68%
Best Match:
CHEMBL4108778

L: Telaprevir
RT_HIV1

Docking Scores:
-9.13 -9.13 -9.92
Similarity Score:
31.17%
Best Match:
CHEMBL3921297

L: Boceprevir
RT_HIV1

Docking Scores:
-8.17 -8.45 -8.27
Similarity Score:
30.08%
Best Match:
CHEMBL3787468

L: Narlaprevir
RT_HIV1

Docking Scores:
-8.47 -7.62 -8.05
Similarity Score:
30.00%
Best Match:
CHEMBL4224747

L: Remdesivir
SPIKE_HCoV-229E

Docking Scores:
-5.35
Similarity Score:
N/A
Best Match:
N/A

L: Telaprevir
SPIKE_HCoV-229E

Docking Scores:
-5.11
Similarity Score:
N/A
Best Match:
N/A

L: Boceprevir
SPIKE_HCoV-229E

Docking Scores:
-5.05
Similarity Score:
N/A
Best Match:
N/A

L: Narlaprevir
SPIKE_HCoV-229E

Docking Scores:
-5.40
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
SPIKE_HCoV-NL63

Docking Scores:
-4.96
Similarity Score:
N/A
Best Match:
N/A

L: Telaprevir
SPIKE_HCoV-NL63

Docking Scores:
-5.48
Similarity Score:
N/A
Best Match:
N/A

L: Boceprevir
SPIKE_HCoV-NL63

Docking Scores:
-5.82
Similarity Score:
N/A
Best Match:
N/A

L: Narlaprevir
SPIKE_HCoV-NL63

Docking Scores:
-5.73
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
SPIKE_HCoV-OC43

Docking Scores:
-7.52
Similarity Score:
N/A
Best Match:
N/A

L: Telaprevir
SPIKE_HCoV-OC43

Docking Scores:
-7.04
Similarity Score:
N/A
Best Match:
N/A

L: Boceprevir
SPIKE_HCoV-OC43

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

L: Narlaprevir
SPIKE_HCoV-OC43

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