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

 
  The docking scores are in the AutoDock Vina metric.

L: Remdesivir
CAPSD_HED68

Docking Scores:
-8.94 -9.98
Similarity Score:
N/A
Best Match:
N/A

L: Telaprevir
CAPSD_HED68

Docking Scores:
-9.77 -9.58
Similarity Score:
N/A
Best Match:
N/A

L: Boceprevir
CAPSD_HED68

Docking Scores:
-8.55 -9.24
Similarity Score:
N/A
Best Match:
N/A

L: Narlaprevir
CAPSD_HED68

Docking Scores:
-7.48 -9.08
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
CAPSD_ZIKV

Docking Scores:
-6.39 -6.55
Similarity Score:
N/A
Best Match:
N/A

L: Telaprevir
CAPSD_ZIKV

Docking Scores:
-6.13 -6.80
Similarity Score:
N/A
Best Match:
N/A

L: Boceprevir
CAPSD_ZIKV

Docking Scores:
-6.62 -6.34
Similarity Score:
N/A
Best Match:
N/A

L: Narlaprevir
CAPSD_ZIKV

Docking Scores:
-6.38 -7.10
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
DPM_HHV1K

Docking Scores:
-9.08
Similarity Score:
22.85%
Best Match:
CHEMBL479371

L: Telaprevir
DPM_HHV1K

Docking Scores:
-8.64
Similarity Score:
25.40%
Best Match:
CHEMBL479371

L: Boceprevir
DPM_HHV1K

Docking Scores:
-8.31
Similarity Score:
14.29%
Best Match:
CHEMBL479371

L: Narlaprevir
DPM_HHV1K

Docking Scores:
-7.81
Similarity Score:
14.50%
Best Match:
CHEMBL479371

L: Remdesivir
E1_9HEPC

Docking Scores:
-5.85
Similarity Score:
N/A
Best Match:
N/A

L: Telaprevir
E1_9HEPC

Docking Scores:
-5.69
Similarity Score:
N/A
Best Match:
N/A

L: Boceprevir
E1_9HEPC

Docking Scores:
-5.59
Similarity Score:
N/A
Best Match:
N/A

L: Narlaprevir
E1_9HEPC

Docking Scores:
-5.74
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
E1_HCV77

Docking Scores:
-4.01
Similarity Score:
50.17%
Best Match:
CHEMBL3696815

L: Telaprevir
E1_HCV77

Docking Scores:
-4.25
Similarity Score:
67.11%
Best Match:
CHEMBL3645733

L: Boceprevir
E1_HCV77

Docking Scores:
-4.37
Similarity Score:
52.43%
Best Match:
CHEMBL3645608

L: Narlaprevir
E1_HCV77

Docking Scores:
-4.03
Similarity Score:
45.11%
Best Match:
CHEMBL3645608