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

 
  The docking scores are in the AutoDock Vina metric.

L: Remdesivir
NS5B_HCV1A

Docking Scores:
-7.87 -8.75 -8.86
Similarity Score:
26.36%
Best Match:
CHEMBL353549

L: Telaprevir
NS5B_HCV1A

Docking Scores:
-8.94 -8.92 -8.81
Similarity Score:
88.43%
Best Match:
CHEMBL13256

L: Boceprevir
NS5B_HCV1A

Docking Scores:
-8.84 -9.26 -9.34
Similarity Score:
59.38%
Best Match:
CHEMBL13443

L: Narlaprevir
NS5B_HCV1A

Docking Scores:
-8.46 -8.73 -8.23
Similarity Score:
45.38%
Best Match:
CHEMBL13443

L: Remdesivir
NS5B_HCV1B

Docking Scores:
-8.12 -8.03 -7.90
Similarity Score:
67.51%
Best Match:
CHEMBL4111989

L: Telaprevir
NS5B_HCV1B

Docking Scores:
-9.60 -7.70 -8.33
Similarity Score:
29.25%
Best Match:
CHEMBL3645202

L: Boceprevir
NS5B_HCV1B

Docking Scores:
-7.79 -7.42 -7.14
Similarity Score:
20.16%
Best Match:
CHEMBL3422106

L: Narlaprevir
NS5B_HCV1B

Docking Scores:
-7.69 -8.12 -7.66
Similarity Score:
20.59%
Best Match:
CHEMBL3422106

L: Remdesivir
NS5B_HCV2A

Docking Scores:
-9.92 -8.77
Similarity Score:
20.97%
Best Match:
CHEMBL4203791

L: Telaprevir
NS5B_HCV2A

Docking Scores:
-8.15 -5.42
Similarity Score:
37.65%
Best Match:
CHEMBL3127326

L: Boceprevir
NS5B_HCV2A

Docking Scores:
-9.03 -5.91
Similarity Score:
35.42%
Best Match:
CHEMBL3127326

L: Narlaprevir
NS5B_HCV2A

Docking Scores:
-8.52 -5.82
Similarity Score:
29.78%
Best Match:
CHEMBL3127326

L: Remdesivir
NS5_9FLAV

Docking Scores:
-7.82
Similarity Score:
N/A
Best Match:
N/A

L: Telaprevir
NS5_9FLAV

Docking Scores:
-8.67
Similarity Score:
N/A
Best Match:
N/A

L: Boceprevir
NS5_9FLAV

Docking Scores:
-8.05
Similarity Score:
N/A
Best Match:
N/A

L: Narlaprevir
NS5_9FLAV

Docking Scores:
-8.82
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
NS5_DEN3S

Docking Scores:
-8.13 -8.53
Similarity Score:
N/A
Best Match:
N/A

L: Telaprevir
NS5_DEN3S

Docking Scores:
-7.72 -9.03
Similarity Score:
N/A
Best Match:
N/A

L: Boceprevir
NS5_DEN3S

Docking Scores:
-7.10 -8.93
Similarity Score:
N/A
Best Match:
N/A

L: Narlaprevir
NS5_DEN3S

Docking Scores:
-7.43 -8.20
Similarity Score:
N/A
Best Match:
N/A