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

View All
 
  The docking scores are in the AutoDock Vina metric.
L: Telaprevir
NS2B_DEN1W

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

L: Telaprevir01
NS2B_DEN1W

Docking Scores:
-6.31
Similarity Score:
N/A
Best Match:
N/A

L: Telaprevir
NS2B_DEN2P

Docking Scores:
-8.01 -8.21
Similarity Score:
N/A
Best Match:
N/A

L: Telaprevir01
NS2B_DEN2P

Docking Scores:
-6.97 -8.14
Similarity Score:
N/A
Best Match:
N/A

L: Telaprevir
NS2B_ZIKV

Docking Scores:
-6.84 -7.11
Similarity Score:
N/A
Best Match:
N/A

L: Telaprevir01
NS2B_ZIKV

Docking Scores:
-7.93 -5.86
Similarity Score:
N/A
Best Match:
N/A

L: Telaprevir
NS2B_ZIKVF

Docking Scores:
-7.92
Similarity Score:
N/A
Best Match:
N/A

L: Telaprevir01
NS2B_ZIKVF

Docking Scores:
-6.84
Similarity Score:
N/A
Best Match:
N/A

L: Telaprevir
NS3_9FLAV

Docking Scores:
-9.46
Similarity Score:
N/A
Best Match:
N/A

L: Telaprevir01
NS3_9FLAV

Docking Scores:
-8.71
Similarity Score:
N/A
Best Match:
N/A

L: Telaprevir
NS3_DEN4T

Docking Scores:
-8.86 -9.14
Similarity Score:
N/A
Best Match:
N/A

L: Telaprevir01
NS3_DEN4T

Docking Scores:
-9.46 -8.43
Similarity Score:
N/A
Best Match:
N/A

L: Telaprevir
NS3_HCV1A

Docking Scores:
-6.90 -6.30 -7.67
Similarity Score:
67.11%
Best Match:
CHEMBL3645733

L: Telaprevir01
NS3_HCV1A

Docking Scores:
-7.04 -5.75 -6.70
Similarity Score:
67.11%
Best Match:
CHEMBL3645733

L: Telaprevir
NS3_HCV1B

Docking Scores:
-7.27 -7.98 -6.54
Similarity Score:
100.00%
Best Match:
CHEMBL231813

L: Telaprevir01
NS3_HCV1B

Docking Scores:
-7.57 -7.26 -6.56
Similarity Score:
100.00%
Best Match:
CHEMBL231813

L: Telaprevir
NS3_HCV3A

Docking Scores:
-8.12 -7.60 -7.42
Similarity Score:
N/A
Best Match:
N/A

L: Telaprevir01
NS3_HCV3A

Docking Scores:
-7.99 -7.78 -7.95
Similarity Score:
N/A
Best Match:
N/A

L: Telaprevir
NS3_ZIKV

Docking Scores:
-9.67
Similarity Score:
N/A
Best Match:
N/A

L: Telaprevir01
NS3_ZIKV

Docking Scores:
-8.44
Similarity Score:
N/A
Best Match:
N/A