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

 
  The docking scores are in the AutoDock Vina metric.

L: Remdesivir
ACE2_HUMAN

Docking Scores:
-10.03
Similarity Score:
27.45%
Best Match:
CHEMBL436639

L: Telaprevir
ACE2_HUMAN

Docking Scores:
-11.10
Similarity Score:
32.33%
Best Match:
CHEMBL1240682

L: Boceprevir
ACE2_HUMAN

Docking Scores:
-9.33
Similarity Score:
32.61%
Best Match:
CHEMBL401086

L: Narlaprevir
ACE2_HUMAN

Docking Scores:
-8.73
Similarity Score:
33.33%
Best Match:
CHEMBL1240682

L: Remdesivir
CAPSD_9CALI

Docking Scores:
-7.69 -7.16 -8.30
Similarity Score:
N/A
Best Match:
N/A

L: Telaprevir
CAPSD_9CALI

Docking Scores:
-8.13 -8.08 -8.83
Similarity Score:
N/A
Best Match:
N/A

L: Boceprevir
CAPSD_9CALI

Docking Scores:
-7.74 -7.10 -7.51
Similarity Score:
N/A
Best Match:
N/A

L: Narlaprevir
CAPSD_9CALI

Docking Scores:
-6.90 -7.50 -7.54
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
CAPSD_9ENTO

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

L: Telaprevir
CAPSD_9ENTO

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

L: Boceprevir
CAPSD_9ENTO

Docking Scores:
-6.32
Similarity Score:
N/A
Best Match:
N/A

L: Narlaprevir
CAPSD_9ENTO

Docking Scores:
-6.07
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
CAPSD_DEN2P

Docking Scores:
-6.35
Similarity Score:
N/A
Best Match:
N/A

L: Telaprevir
CAPSD_DEN2P

Docking Scores:
-7.53
Similarity Score:
N/A
Best Match:
N/A

L: Boceprevir
CAPSD_DEN2P

Docking Scores:
-6.42
Similarity Score:
N/A
Best Match:
N/A

L: Narlaprevir
CAPSD_DEN2P

Docking Scores:
-6.77
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
CAPSD_HCV77

Docking Scores:
-5.24
Similarity Score:
50.17%
Best Match:
CHEMBL3696815

L: Telaprevir
CAPSD_HCV77

Docking Scores:
-5.40
Similarity Score:
67.11%
Best Match:
CHEMBL3645733

L: Boceprevir
CAPSD_HCV77

Docking Scores:
-5.02
Similarity Score:
52.43%
Best Match:
CHEMBL3645608

L: Narlaprevir
CAPSD_HCV77

Docking Scores:
-4.85
Similarity Score:
45.11%
Best Match:
CHEMBL3645608