Case_study_1_mini #498 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: Paxlovid
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: Paxlovid
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: Paxlovid
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: Paxlovid
NS5_9FLAV

Docking Scores:
-8.58
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
NS5_9FLAV

Docking Scores:
-8.00
Similarity Score:
N/A
Best Match:
N/A

L: Paxlovid
NS5_DEN3S

Docking Scores:
-7.07 -8.26
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
NS5_DEN3S

Docking Scores:
-7.11 -7.87
Similarity Score:
N/A
Best Match:
N/A

L: Paxlovid
NS5_ZIKV

Docking Scores:
-8.03 -5.88
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
NS5_ZIKV

Docking Scores:
-7.81 -5.25
Similarity Score:
N/A
Best Match:
N/A

L: Paxlovid
NS5_ZIKVF

Docking Scores:
-8.68
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
NS5_ZIKVF

Docking Scores:
-7.24
Similarity Score:
N/A
Best Match:
N/A

L: Paxlovid
NS6_9CALI

Docking Scores:
-5.19 -5.31 -6.29
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
NS6_9CALI

Docking Scores:
-4.75 -5.70 -5.87
Similarity Score:
N/A
Best Match:
N/A

L: Paxlovid
NSP15_SARS

Docking Scores:
-6.37
Similarity Score:
42.31%
Best Match:
CHEMBL2441741

L: Molnupiravir
NSP15_SARS

Docking Scores:
-6.07
Similarity Score:
18.10%
Best Match:
CHEMBL2441745

L: Paxlovid
NSP15_SARS2

Docking Scores:
-6.49
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
NSP15_SARS2

Docking Scores:
-6.83
Similarity Score:
N/A
Best Match:
N/A