Yixuan's drug22-virus-ckb2 #416 Output Download CSV

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Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: Telaprevir
NS5B_HCV1A

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

L: Telaprevir01
NS5B_HCV1A

Docking Scores:
-9.08 -9.20 -9.79
Similarity Score:
88.43%
Best Match:
CHEMBL13256

L: Telaprevir
NS5B_HCV1B

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

L: Telaprevir01
NS5B_HCV1B

Docking Scores:
-8.07 -6.96 -7.85
Similarity Score:
29.25%
Best Match:
CHEMBL3645202

L: Telaprevir
NS5B_HCV2A

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

L: Telaprevir01
NS5B_HCV2A

Docking Scores:
-8.34 -5.95
Similarity Score:
37.65%
Best Match:
CHEMBL3127326

L: Telaprevir
NS5_9FLAV

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

L: Telaprevir01
NS5_9FLAV

Docking Scores:
-8.18
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: Telaprevir01
NS5_DEN3S

Docking Scores:
-7.67 -7.36
Similarity Score:
N/A
Best Match:
N/A

L: Telaprevir
NS5_ZIKV

Docking Scores:
-8.37 -5.90
Similarity Score:
N/A
Best Match:
N/A

L: Telaprevir01
NS5_ZIKV

Docking Scores:
-8.40 -5.57
Similarity Score:
N/A
Best Match:
N/A

L: Telaprevir
NS5_ZIKVF

Docking Scores:
-8.42
Similarity Score:
N/A
Best Match:
N/A

L: Telaprevir01
NS5_ZIKVF

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

L: Telaprevir
NS6_9CALI

Docking Scores:
-5.54 -6.04 -6.94
Similarity Score:
N/A
Best Match:
N/A

L: Telaprevir01
NS6_9CALI

Docking Scores:
-5.28 -4.60 -7.25
Similarity Score:
N/A
Best Match:
N/A

L: Telaprevir
NSP15_SARS

Docking Scores:
-6.91
Similarity Score:
39.29%
Best Match:
CHEMBL2441745

L: Telaprevir01
NSP15_SARS

Docking Scores:
-6.68
Similarity Score:
39.29%
Best Match:
CHEMBL2441745

L: Telaprevir
NSP15_SARS2

Docking Scores:
-7.27
Similarity Score:
N/A
Best Match:
N/A

L: Telaprevir01
NSP15_SARS2

Docking Scores:
-6.46
Similarity Score:
N/A
Best Match:
N/A