mini project 083023_YZ#3 #536 Output Download CSV

View All
Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: Nirmatrelvir
P_9CALI

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

L: Molnupiravir
P_9CALI

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

L: Ritonavir
P_NVN68

Docking Scores:
-5.72
Similarity Score:
N/A
Best Match:
N/A

L: Nirmatrelvir
P_NVN68

Docking Scores:
-5.30
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
P_NVN68

Docking Scores:
-5.32
Similarity Score:
N/A
Best Match:
N/A

L: Ritonavir
RDRP_SARS2

Docking Scores:
-6.97
Similarity Score:
22.46%
Best Match:
CHEMBL4065616

L: Nirmatrelvir
RDRP_SARS2

Docking Scores:
-6.54
Similarity Score:
10.37%
Best Match:
CHEMBL4065616

L: Molnupiravir
RDRP_SARS2

Docking Scores:
-6.76
Similarity Score:
23.68%
Best Match:
CHEMBL4065616

L: Ritonavir
RT_HIV1

Docking Scores:
-8.36 -8.48 -7.72
Similarity Score:
46.62%
Best Match:
CHEMBL3921297

L: Nirmatrelvir
RT_HIV1

Docking Scores:
-8.05 -8.30 -7.19
Similarity Score:
33.58%
Best Match:
CHEMBL4225865

L: Molnupiravir
RT_HIV1

Docking Scores:
-7.85 -8.20 -7.88
Similarity Score:
23.95%
Best Match:
CHEMBL3683704

L: Ritonavir
SPIKE_HCoV-229E

Docking Scores:
-4.71
Similarity Score:
N/A
Best Match:
N/A

L: Nirmatrelvir
SPIKE_HCoV-229E

Docking Scores:
-4.66
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
SPIKE_HCoV-229E

Docking Scores:
-4.73
Similarity Score:
N/A
Best Match:
N/A

L: Ritonavir
SPIKE_HCoV-NL63

Docking Scores:
-5.78
Similarity Score:
N/A
Best Match:
N/A

L: Nirmatrelvir
SPIKE_HCoV-NL63

Docking Scores:
-6.20
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
SPIKE_HCoV-NL63

Docking Scores:
-5.14
Similarity Score:
N/A
Best Match:
N/A

L: Ritonavir
SPIKE_HCoV-OC43

Docking Scores:
-6.71
Similarity Score:
N/A
Best Match:
N/A

L: Nirmatrelvir
SPIKE_HCoV-OC43

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

L: Molnupiravir
SPIKE_HCoV-OC43

Docking Scores:
-6.44
Similarity Score:
N/A
Best Match:
N/A