mini project 083023_YZ#3 #536 Output Download CSV

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Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: Ritonavir
PR_FCoV

Docking Scores:
-7.57
Similarity Score:
41.03%
Best Match:
CHEMBL4214471

L: Nirmatrelvir
PR_FCoV

Docking Scores:
-7.04
Similarity Score:
52.83%
Best Match:
CHEMBL4214066

L: Molnupiravir
PR_FCoV

Docking Scores:
-6.62
Similarity Score:
17.44%
Best Match:
CHEMBL4214066

L: Ritonavir
PR_HCoV-229E

Docking Scores:
-7.41 -7.22
Similarity Score:
N/A
Best Match:
N/A

L: Nirmatrelvir
PR_HCoV-229E

Docking Scores:
-7.67 -7.48
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
PR_HCoV-229E

Docking Scores:
-7.68 -7.20
Similarity Score:
N/A
Best Match:
N/A

L: Ritonavir
PR_HCoV-NL63

Docking Scores:
-5.16 -7.09
Similarity Score:
N/A
Best Match:
N/A

L: Nirmatrelvir
PR_HCoV-NL63

Docking Scores:
-4.55 -7.50
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
PR_HCoV-NL63

Docking Scores:
-5.00 -7.44
Similarity Score:
N/A
Best Match:
N/A

L: Ritonavir
PR_HIV1

Docking Scores:
-5.72 -6.38 -6.56
Similarity Score:
35.86%
Best Match:
CHEMBL492666

L: Nirmatrelvir
PR_HIV1

Docking Scores:
-6.46 -6.72 -7.03
Similarity Score:
17.03%
Best Match:
CHEMBL492666

L: Molnupiravir
PR_HIV1

Docking Scores:
-6.03 -6.15 -6.17
Similarity Score:
28.51%
Best Match:
CHEMBL3645127

L: Ritonavir
PR_HIV2

Docking Scores:
-6.17 -6.90
Similarity Score:
N/A
Best Match:
N/A

L: Nirmatrelvir
PR_HIV2

Docking Scores:
-7.47 -6.82
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
PR_HIV2

Docking Scores:
-6.65 -5.98
Similarity Score:
N/A
Best Match:
N/A

L: Ritonavir
PR_HKU1

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

L: Nirmatrelvir
PR_HKU1

Docking Scores:
-6.35
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
PR_HKU1

Docking Scores:
-6.67
Similarity Score:
N/A
Best Match:
N/A

L: Ritonavir
PR_HKU4

Docking Scores:
-6.58 -6.62 -7.15
Similarity Score:
N/A
Best Match:
N/A

L: Nirmatrelvir
PR_HKU4

Docking Scores:
-6.75 -7.19 -7.32
Similarity Score:
N/A
Best Match:
N/A