mini project 083023_YZ#3 #536 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: Molnupiravir
3C_HE71

Docking Scores:
-5.88 -6.25
Similarity Score:
N/A
Best Match:
N/A

L: Ritonavir
3C_HED68

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

L: Nirmatrelvir
3C_HED68

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

L: Molnupiravir
3C_HED68

Docking Scores:
-5.47
Similarity Score:
N/A
Best Match:
N/A

L: Ritonavir
3D_HE71

Docking Scores:
-7.62
Similarity Score:
N/A
Best Match:
N/A

L: Nirmatrelvir
3D_HE71

Docking Scores:
-7.29
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
3D_HE71

Docking Scores:
-7.52
Similarity Score:
N/A
Best Match:
N/A

L: Ritonavir
3D_HED68

Docking Scores:
-8.22
Similarity Score:
N/A
Best Match:
N/A

L: Nirmatrelvir
3D_HED68

Docking Scores:
-7.96
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
3D_HED68

Docking Scores:
-7.33
Similarity Score:
N/A
Best Match:
N/A

L: Ritonavir
ACE2_HUMAN

Docking Scores:
-10.61
Similarity Score:
39.58%
Best Match:
CHEMBL1240682

L: Nirmatrelvir
ACE2_HUMAN

Docking Scores:
-9.40
Similarity Score:
38.64%
Best Match:
CHEMBL254900

L: Molnupiravir
ACE2_HUMAN

Docking Scores:
-9.09
Similarity Score:
21.43%
Best Match:
CHEMBL429844

L: Ritonavir
CAPSD_9CALI

Docking Scores:
-7.56 -7.67 -7.70
Similarity Score:
N/A
Best Match:
N/A

L: Nirmatrelvir
CAPSD_9CALI

Docking Scores:
-7.25 -7.13 -7.40
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
CAPSD_9CALI

Docking Scores:
-7.01 -6.94 -7.75
Similarity Score:
N/A
Best Match:
N/A

L: Ritonavir
CAPSD_9ENTO

Docking Scores:
-7.28
Similarity Score:
N/A
Best Match:
N/A

L: Nirmatrelvir
CAPSD_9ENTO

Docking Scores:
-6.60
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
CAPSD_9ENTO

Docking Scores:
-8.98
Similarity Score:
N/A
Best Match:
N/A

L: Ritonavir
CAPSD_DEN2P

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