Nirmatrelvir modification #418 Output Download CSV

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

Docking Scores:
-8.52 -8.41 -8.44
Similarity Score:
36.96%
Best Match:
CHEMBL2040554

L: Nirmatrelvir
PA_INFA

Docking Scores:
-8.22 -7.35 -7.70
Similarity Score:
24.03%
Best Match:
CHEMBL2040554

L: Nirmatrelvir Modify
PA_INFB

Docking Scores:
-7.80
Similarity Score:
N/A
Best Match:
N/A

L: Nirmatrelvir
PA_INFB

Docking Scores:
-7.39
Similarity Score:
N/A
Best Match:
N/A

L: Nirmatrelvir Modify
PB2_A-H3N2

Docking Scores:
-8.81 -8.15
Similarity Score:
N/A
Best Match:
N/A

L: Nirmatrelvir
PB2_A-H3N2

Docking Scores:
-7.29 -7.64
Similarity Score:
N/A
Best Match:
N/A

L: Nirmatrelvir Modify
PB2_A-H5N1

Docking Scores:
-8.34 -7.24 -7.37
Similarity Score:
N/A
Best Match:
N/A

L: Nirmatrelvir
PB2_A-H5N1

Docking Scores:
-7.64 -6.94 -7.42
Similarity Score:
N/A
Best Match:
N/A

L: Nirmatrelvir Modify
PB2_INFB

Docking Scores:
-8.92
Similarity Score:
N/A
Best Match:
N/A

L: Nirmatrelvir
PB2_INFB

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

L: Nirmatrelvir Modify
PB3_A-H3N2

Docking Scores:
-8.28
Similarity Score:
N/A
Best Match:
N/A

L: Nirmatrelvir
PB3_A-H3N2

Docking Scores:
-7.79
Similarity Score:
N/A
Best Match:
N/A

L: Nirmatrelvir Modify
PB4_A-H3N2

Docking Scores:
-9.02
Similarity Score:
N/A
Best Match:
N/A

L: Nirmatrelvir
PB4_A-H3N2

Docking Scores:
-8.12
Similarity Score:
N/A
Best Match:
N/A

L: Nirmatrelvir Modify
PLP_SARS

Docking Scores:
-9.36 -9.51 -9.08
Similarity Score:
45.03%
Best Match:
CHEMBL213054

L: Nirmatrelvir
PLP_SARS

Docking Scores:
-7.34 -7.42 -8.27
Similarity Score:
42.86%
Best Match:
CHEMBL213054

L: Nirmatrelvir Modify
PLP_SARS2

Docking Scores:
-6.51
Similarity Score:
N/A
Best Match:
N/A

L: Nirmatrelvir
PLP_SARS2

Docking Scores:
-6.68
Similarity Score:
N/A
Best Match:
N/A

L: Nirmatrelvir Modify
PM_9VIRU

Docking Scores:
-7.54 -8.20
Similarity Score:
N/A
Best Match:
N/A

L: Nirmatrelvir
PM_9VIRU

Docking Scores:
-7.20 -7.64
Similarity Score:
N/A
Best Match:
N/A