LTJv4 #80 Output Download CSV

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

Docking Scores:
-5.48 -5.35 -5.17
Similarity Score:
29.57%
Best Match:
CHEMBL221366

L: Indomethacin
PR_SARS

Docking Scores:
-7.54 -7.16 -7.28
Similarity Score:
25.64%
Best Match:
CHEMBL2441741

L: Ibuprofen
PR_SARS

Docking Scores:
-5.53 -5.38 -5.76
Similarity Score:
23.14%
Best Match:
CHEMBL2441741

L: Fenbufen
PR_SARS

Docking Scores:
-6.64 -6.47 -6.81
Similarity Score:
25.00%
Best Match:
CHEMBL2441741

L: Ritonavir
PR_SARS

Docking Scores:
-6.97 -7.16 -7.18
Similarity Score:
41.85%
Best Match:
CHEMBL2441745

L: Acetylsalicylic acid
PR_SARS2

Docking Scores:
-5.13
Similarity Score:
N/A
Best Match:
N/A

L: Indomethacin
PR_SARS2

Docking Scores:
-7.58
Similarity Score:
N/A
Best Match:
N/A

L: Ibuprofen
PR_SARS2

Docking Scores:
-5.94
Similarity Score:
N/A
Best Match:
N/A

L: Fenbufen
PR_SARS2

Docking Scores:
-6.84
Similarity Score:
N/A
Best Match:
N/A

L: Ritonavir
PR_SARS2

Docking Scores:
-7.21
Similarity Score:
N/A
Best Match:
N/A

L: Acetylsalicylic acid
PR_TGEV

Docking Scores:
-5.51
Similarity Score:
N/A
Best Match:
N/A

L: Indomethacin
PR_TGEV

Docking Scores:
-6.92
Similarity Score:
N/A
Best Match:
N/A

L: Ibuprofen
PR_TGEV

Docking Scores:
-5.56
Similarity Score:
N/A
Best Match:
N/A

L: Fenbufen
PR_TGEV

Docking Scores:
-6.76
Similarity Score:
N/A
Best Match:
N/A

L: Ritonavir
PR_TGEV

Docking Scores:
-7.88
Similarity Score:
N/A
Best Match:
N/A

L: Acetylsalicylic acid
RT_HIV1

Docking Scores:
-6.89 -6.85 -6.99
Similarity Score:
23.36%
Best Match:
CHEMBL3775172

L: Indomethacin
RT_HIV1

Docking Scores:
-8.60 -10.06 -9.17
Similarity Score:
33.21%
Best Match:
CHEMBL3900871

L: Ibuprofen
RT_HIV1

Docking Scores:
-8.12 -8.93 -8.01
Similarity Score:
35.29%
Best Match:
CHEMBL3775172

L: Fenbufen
RT_HIV1

Docking Scores:
-8.79 -8.79 -8.34
Similarity Score:
48.86%
Best Match:
CHEMBL3775172

L: Ritonavir
RT_HIV1

Docking Scores:
-8.56 -8.32 -8.59
Similarity Score:
46.62%
Best Match:
CHEMBL3921297