LTJv2 #75 Output Download CSV

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Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: Etoricoxib
PGH2_HUMAN

Docking Scores:
-7.46 -8.41 -11.14
Similarity Score:
100.00%
Best Match:
CHEMBL416146

L: Indomethacin
PGH2_HUMAN

Docking Scores:
-4.74 -5.42 -7.64
Similarity Score:
100.00%
Best Match:
CHEMBL6

L: Fenbufen
PGH2_HUMAN

Docking Scores:
-8.12 -8.38 -8.37
Similarity Score:
57.14%
Best Match:
CHEMBL441414

L: Celecoxib
PGH2_HUMAN

Docking Scores:
-8.99 -9.89 -11.85
Similarity Score:
100.00%
Best Match:
CHEMBL118

L: Diclofenac
PGH2_HUMAN

Docking Scores:
-7.37 -7.98 -8.14
Similarity Score:
100.00%
Best Match:
CHEMBL139

L: Etoricoxib
PPAP_HUMAN

Docking Scores:
-8.08
Similarity Score:
11.04%
Best Match:
CHEMBL453954

L: Indomethacin
PPAP_HUMAN

Docking Scores:
-8.76
Similarity Score:
25.44%
Best Match:
CHEMBL507996

L: Fenbufen
PPAP_HUMAN

Docking Scores:
-7.82
Similarity Score:
18.00%
Best Match:
CHEMBL501717

L: Celecoxib
PPAP_HUMAN

Docking Scores:
-8.68
Similarity Score:
20.00%
Best Match:
CHEMBL507996

L: Diclofenac
PPAP_HUMAN

Docking Scores:
-7.69
Similarity Score:
17.24%
Best Match:
CHEMBL501717

L: Etoricoxib
PPARG_HUMAN

Docking Scores:
-8.05 -9.14 -8.27
Similarity Score:
41.67%
Best Match:
CHEMBL3695769

L: Indomethacin
PPARG_HUMAN

Docking Scores:
-8.28 -8.72 -8.41
Similarity Score:
80.00%
Best Match:
CHEMBL360762

L: Fenbufen
PPARG_HUMAN

Docking Scores:
-7.52 -8.69 -8.31
Similarity Score:
51.39%
Best Match:
CHEMBL396109

L: Celecoxib
PPARG_HUMAN

Docking Scores:
-9.43 -10.20 -9.74
Similarity Score:
45.85%
Best Match:
CHEMBL208472

L: Diclofenac
PPARG_HUMAN

Docking Scores:
-7.57 -7.17 -7.92
Similarity Score:
38.89%
Best Match:
CHEMBL167963

L: Etoricoxib
PRGR_HUMAN

Docking Scores:
-3.45 -0.80 -8.28
Similarity Score:
37.50%
Best Match:
CHEMBL3605932

L: Indomethacin
PRGR_HUMAN

Docking Scores:
-5.84 -6.69 -8.93
Similarity Score:
45.21%
Best Match:
CHEMBL3622996

L: Fenbufen
PRGR_HUMAN

Docking Scores:
-8.74 -8.53 -8.54
Similarity Score:
70.31%
Best Match:
CHEMBL566982

L: Celecoxib
PRGR_HUMAN

Docking Scores:
-1.79 -0.68 -8.65
Similarity Score:
52.83%
Best Match:
CHEMBL1929041

L: Diclofenac
PRGR_HUMAN

Docking Scores:
-8.19 -8.40 -7.81
Similarity Score:
45.87%
Best Match:
CHEMBL117612