trial #445 Output Download CSV

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Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: molecule_mod
PR_SARS

Docking Scores:
-3.59 -3.70 -3.89
Similarity Score:
14.63%
Best Match:
CHEMBL471187

L: molecule
PR_SARS

Docking Scores:
-3.06 -3.20 -3.45
Similarity Score:
17.14%
Best Match:
CHEMBL471187

L: molecule_mod
PR_SARS2

Docking Scores:
-3.55
Similarity Score:
N/A
Best Match:
N/A

L: molecule
PR_SARS2

Docking Scores:
-3.41
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
PR_TGEV

Docking Scores:
-3.95
Similarity Score:
N/A
Best Match:
N/A

L: molecule
PR_TGEV

Docking Scores:
-3.21
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
P_9CALI

Docking Scores:
-5.01
Similarity Score:
N/A
Best Match:
N/A

L: molecule
P_9CALI

Docking Scores:
-4.32
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
P_NVN68

Docking Scores:
-3.55
Similarity Score:
N/A
Best Match:
N/A

L: molecule
P_NVN68

Docking Scores:
-3.12
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
RDRP_SARS2

Docking Scores:
-4.21
Similarity Score:
4.65%
Best Match:
CHEMBL4065616

L: molecule
RDRP_SARS2

Docking Scores:
-3.59
Similarity Score:
2.33%
Best Match:
CHEMBL4065616

L: molecule_mod
RT_HIV1

Docking Scores:
-5.74 -5.96 -6.03
Similarity Score:
15.19%
Best Match:
CHEMBL3775172

L: molecule
RT_HIV1

Docking Scores:
-4.91 -5.37 -5.51
Similarity Score:
7.59%
Best Match:
CHEMBL3775172

L: molecule_mod
SPIKE_HCoV-229E

Docking Scores:
-3.04
Similarity Score:
N/A
Best Match:
N/A

L: molecule
SPIKE_HCoV-229E

Docking Scores:
-2.70
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
SPIKE_HCoV-NL63

Docking Scores:
-3.84
Similarity Score:
N/A
Best Match:
N/A

L: molecule
SPIKE_HCoV-NL63

Docking Scores:
-3.32
Similarity Score:
N/A
Best Match:
N/A

L: molecule_mod
SPIKE_HCoV-OC43

Docking Scores:
-4.06
Similarity Score:
N/A
Best Match:
N/A

L: molecule
SPIKE_HCoV-OC43

Docking Scores:
-3.51
Similarity Score:
N/A
Best Match:
N/A