LTJv2 #75 Output Download CSV

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Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: Etoricoxib
CNR2_HUMAN

Docking Scores:
-9.79 -9.85
Similarity Score:
47.13%
Best Match:
CHEMBL577986

L: Indomethacin
CNR2_HUMAN

Docking Scores:
-9.23 -9.20
Similarity Score:
92.70%
Best Match:
CHEMBL72324

L: Fenbufen
CNR2_HUMAN

Docking Scores:
-9.28 -9.03
Similarity Score:
62.50%
Best Match:
CHEMBL234014

L: Celecoxib
CNR2_HUMAN

Docking Scores:
-11.22 -10.54
Similarity Score:
52.22%
Best Match:
CHEMBL2347041

L: Diclofenac
CNR2_HUMAN

Docking Scores:
-8.58 -8.70
Similarity Score:
38.18%
Best Match:
CHEMBL2326302

L: Etoricoxib
COLI_HUMAN

Docking Scores:
-9.10 -8.92 -8.54
Similarity Score:
N/A
Best Match:
N/A

L: Indomethacin
COLI_HUMAN

Docking Scores:
-8.57 -8.55 -8.17
Similarity Score:
N/A
Best Match:
N/A

L: Fenbufen
COLI_HUMAN

Docking Scores:
-8.41 -8.60 -7.59
Similarity Score:
N/A
Best Match:
N/A

L: Celecoxib
COLI_HUMAN

Docking Scores:
-9.34 -9.28 -8.78
Similarity Score:
N/A
Best Match:
N/A

L: Diclofenac
COLI_HUMAN

Docking Scores:
-7.40 -7.19 -7.23
Similarity Score:
N/A
Best Match:
N/A

L: Etoricoxib
COMT_HUMAN

Docking Scores:
-6.75 -6.36 -6.20
Similarity Score:
34.69%
Best Match:
CHEMBL3798286

L: Indomethacin
COMT_HUMAN

Docking Scores:
-6.23 -6.16 -7.30
Similarity Score:
40.72%
Best Match:
CHEMBL3425731

L: Fenbufen
COMT_HUMAN

Docking Scores:
-6.42 -7.03 -6.90
Similarity Score:
26.35%
Best Match:
CHEMBL3425740

L: Celecoxib
COMT_HUMAN

Docking Scores:
-7.20 -6.45 -5.85
Similarity Score:
31.98%
Best Match:
CHEMBL3425732

L: Diclofenac
COMT_HUMAN

Docking Scores:
-6.26 -6.12 -6.36
Similarity Score:
22.76%
Best Match:
CHEMBL1324

L: Etoricoxib
CRP_HUMAN

Docking Scores:
-6.56 -6.52
Similarity Score:
N/A
Best Match:
N/A

L: Indomethacin
CRP_HUMAN

Docking Scores:
-6.41 -5.84
Similarity Score:
N/A
Best Match:
N/A

L: Fenbufen
CRP_HUMAN

Docking Scores:
-5.91 -6.04
Similarity Score:
N/A
Best Match:
N/A

L: Celecoxib
CRP_HUMAN

Docking Scores:
-7.04 -6.86
Similarity Score:
N/A
Best Match:
N/A

L: Diclofenac
CRP_HUMAN

Docking Scores:
-5.84 -5.77
Similarity Score:
N/A
Best Match:
N/A