wep31 #442 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: 4a
3D_HE71

Docking Scores:
-7.15
Similarity Score:
N/A
Best Match:
N/A

L: 4b
3D_HE71

Docking Scores:
-7.80
Similarity Score:
N/A
Best Match:
N/A

L: 3b
3D_HE71

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

L: 4c
3D_HE71

Docking Scores:
-7.21
Similarity Score:
N/A
Best Match:
N/A

L: 3a
3D_HE71

Docking Scores:
-5.88
Similarity Score:
N/A
Best Match:
N/A

L: 4a
3D_HED68

Docking Scores:
-7.08
Similarity Score:
N/A
Best Match:
N/A

L: 4b
3D_HED68

Docking Scores:
-7.58
Similarity Score:
N/A
Best Match:
N/A

L: 3b
3D_HED68

Docking Scores:
-6.56
Similarity Score:
N/A
Best Match:
N/A

L: 4c
3D_HED68

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

L: 3a
3D_HED68

Docking Scores:
-6.14
Similarity Score:
N/A
Best Match:
N/A

L: 4a
ACE2_HUMAN

Docking Scores:
-8.65
Similarity Score:
25.93%
Best Match:
CHEMBL253224

L: 4b
ACE2_HUMAN

Docking Scores:
-9.77
Similarity Score:
31.19%
Best Match:
CHEMBL253224

L: 3b
ACE2_HUMAN

Docking Scores:
-7.26
Similarity Score:
33.33%
Best Match:
CHEMBL253224

L: 4c
ACE2_HUMAN

Docking Scores:
-9.15
Similarity Score:
32.14%
Best Match:
CHEMBL253224

L: 3a
ACE2_HUMAN

Docking Scores:
-6.62
Similarity Score:
27.72%
Best Match:
CHEMBL253224

L: 4a
CAPSD_9CALI

Docking Scores:
-6.85 -6.75 -7.50
Similarity Score:
N/A
Best Match:
N/A

L: 4b
CAPSD_9CALI

Docking Scores:
-7.01 -7.66 -7.60
Similarity Score:
N/A
Best Match:
N/A

L: 3b
CAPSD_9CALI

Docking Scores:
-5.95 -6.13 -6.81
Similarity Score:
N/A
Best Match:
N/A

L: 4c
CAPSD_9CALI

Docking Scores:
-7.67 -6.41 -7.09
Similarity Score:
N/A
Best Match:
N/A

L: 3a
CAPSD_9CALI

Docking Scores:
-5.44 -7.36 -5.99
Similarity Score:
N/A
Best Match:
N/A