Case_study_1_mini #498 Output Download CSV

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Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: Paxlovid
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: Paxlovid
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: Paxlovid
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: Paxlovid
CAPSD_DEN2P

Docking Scores:
-6.63
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
CAPSD_DEN2P

Docking Scores:
-5.67
Similarity Score:
N/A
Best Match:
N/A

L: Paxlovid
CAPSD_HCV77

Docking Scores:
-4.50
Similarity Score:
60.67%
Best Match:
CHEMBL296588

L: Molnupiravir
CAPSD_HCV77

Docking Scores:
-4.44
Similarity Score:
41.77%
Best Match:
CHEMBL3696815

L: Paxlovid
CAPSD_HED68

Docking Scores:
-7.87 -8.58
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
CAPSD_HED68

Docking Scores:
-7.55 -7.96
Similarity Score:
N/A
Best Match:
N/A

L: Paxlovid
CAPSD_ZIKV

Docking Scores:
-6.58 -5.76
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
CAPSD_ZIKV

Docking Scores:
-5.90 -5.24
Similarity Score:
N/A
Best Match:
N/A

L: Paxlovid
DPM_HHV1K

Docking Scores:
-7.67
Similarity Score:
16.31%
Best Match:
CHEMBL479371

L: Molnupiravir
DPM_HHV1K

Docking Scores:
-7.73
Similarity Score:
17.36%
Best Match:
CHEMBL479371

L: Paxlovid
E1_9HEPC

Docking Scores:
-5.46
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
E1_9HEPC

Docking Scores:
-5.28
Similarity Score:
N/A
Best Match:
N/A

L: Paxlovid
E1_HCV77

Docking Scores:
-3.96
Similarity Score:
60.67%
Best Match:
CHEMBL296588

L: Molnupiravir
E1_HCV77

Docking Scores:
-3.96
Similarity Score:
41.77%
Best Match:
CHEMBL3696815