mini project 083023_YZ#3 #536 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: Molnupiravir
NS3_HCV1A

Docking Scores:
-8.08 -5.97 -7.11
Similarity Score:
41.77%
Best Match:
CHEMBL3696815

L: Ritonavir
NS3_HCV1B

Docking Scores:
-7.17 -6.63 -5.90
Similarity Score:
36.26%
Best Match:
CHEMBL3954962

L: Nirmatrelvir
NS3_HCV1B

Docking Scores:
-6.76 -6.80 -5.54
Similarity Score:
50.50%
Best Match:
CHEMBL3921185

L: Molnupiravir
NS3_HCV1B

Docking Scores:
-7.79 -7.13 -5.79
Similarity Score:
20.82%
Best Match:
CHEMBL3954962

L: Ritonavir
NS3_HCV3A

Docking Scores:
-7.10 -6.36 -5.93
Similarity Score:
N/A
Best Match:
N/A

L: Nirmatrelvir
NS3_HCV3A

Docking Scores:
-6.89 -6.30 -6.40
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
NS3_HCV3A

Docking Scores:
-6.73 -6.73 -7.01
Similarity Score:
N/A
Best Match:
N/A

L: Ritonavir
NS3_ZIKV

Docking Scores:
-7.88
Similarity Score:
N/A
Best Match:
N/A

L: Nirmatrelvir
NS3_ZIKV

Docking Scores:
-8.41
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
NS3_ZIKV

Docking Scores:
-7.72
Similarity Score:
N/A
Best Match:
N/A

L: Ritonavir
NS5B_HCV1A

Docking Scores:
-8.60 -9.41 -8.90
Similarity Score:
39.62%
Best Match:
CHEMBL3644878

L: Nirmatrelvir
NS5B_HCV1A

Docking Scores:
-7.98 -8.13 -8.01
Similarity Score:
52.00%
Best Match:
CHEMBL13443

L: Molnupiravir
NS5B_HCV1A

Docking Scores:
-7.43 -7.12 -7.08
Similarity Score:
21.98%
Best Match:
CHEMBL3644925

L: Ritonavir
NS5B_HCV1B

Docking Scores:
-7.70 -8.10 -8.42
Similarity Score:
35.65%
Best Match:
CHEMBL3422108

L: Nirmatrelvir
NS5B_HCV1B

Docking Scores:
-7.55 -7.93 -6.90
Similarity Score:
20.75%
Best Match:
CHEMBL3422106

L: Molnupiravir
NS5B_HCV1B

Docking Scores:
-6.91 -7.88 -7.48
Similarity Score:
22.18%
Best Match:
CHEMBL3970609

L: Ritonavir
NS5B_HCV2A

Docking Scores:
-9.75 -5.29
Similarity Score:
33.61%
Best Match:
CHEMBL3127326

L: Nirmatrelvir
NS5B_HCV2A

Docking Scores:
-9.62 -6.16
Similarity Score:
34.72%
Best Match:
CHEMBL3127326

L: Molnupiravir
NS5B_HCV2A

Docking Scores:
-8.92 -8.21
Similarity Score:
16.00%
Best Match:
CHEMBL3127326

L: Ritonavir
NS5_9FLAV

Docking Scores:
-8.87
Similarity Score:
N/A
Best Match:
N/A