LTJv2 #75 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: Etoricoxib
NMDE2_HUMAN

Docking Scores:
-10.26 -9.01 -9.98
Similarity Score:
32.61%
Best Match:
CHEMBL570613

L: Indomethacin
NMDE2_HUMAN

Docking Scores:
-9.38 -9.35 -9.60
Similarity Score:
43.23%
Best Match:
CHEMBL444384

L: Fenbufen
NMDE2_HUMAN

Docking Scores:
-9.47 -9.15 -9.90
Similarity Score:
32.89%
Best Match:
CHEMBL296601

L: Celecoxib
NMDE2_HUMAN

Docking Scores:
-11.39 -9.71 -9.97
Similarity Score:
30.37%
Best Match:
CHEMBL2013201

L: Diclofenac
NMDE2_HUMAN

Docking Scores:
-8.62 -8.19 -9.62
Similarity Score:
25.53%
Best Match:
CHEMBL161977

L: Etoricoxib
NMDZ1_HUMAN

Docking Scores:
-9.22 -10.01 -8.83
Similarity Score:
30.37%
Best Match:
CHEMBL164322

L: Indomethacin
NMDZ1_HUMAN

Docking Scores:
-8.83 -9.39 -7.00
Similarity Score:
38.67%
Best Match:
CHEMBL163916

L: Fenbufen
NMDZ1_HUMAN

Docking Scores:
-9.34 -9.04 -9.43
Similarity Score:
24.79%
Best Match:
CHEMBL419399

L: Celecoxib
NMDZ1_HUMAN

Docking Scores:
-8.11 -7.78 -7.47
Similarity Score:
29.95%
Best Match:
CHEMBL164322

L: Diclofenac
NMDZ1_HUMAN

Docking Scores:
-8.66 -8.55 -8.42
Similarity Score:
28.82%
Best Match:
CHEMBL401253

L: Etoricoxib
NOS1_HUMAN

Docking Scores:
-8.00 -7.40 -7.60
Similarity Score:
37.50%
Best Match:
CHEMBL4084332

L: Indomethacin
NOS1_HUMAN

Docking Scores:
-8.92 -8.92 -8.81
Similarity Score:
36.41%
Best Match:
CHEMBL474637

L: Fenbufen
NOS1_HUMAN

Docking Scores:
-9.56 -9.59 -8.52
Similarity Score:
33.33%
Best Match:
CHEMBL298404

L: Celecoxib
NOS1_HUMAN

Docking Scores:
-9.28 -8.38 -8.87
Similarity Score:
33.87%
Best Match:
CHEMBL185444

L: Diclofenac
NOS1_HUMAN

Docking Scores:
-8.26 -8.29 -8.68
Similarity Score:
34.82%
Best Match:
CHEMBL49881

L: Etoricoxib
NOS2_HUMAN

Docking Scores:
-7.50 -8.50 -8.57
Similarity Score:
34.29%
Best Match:
CHEMBL1800534

L: Indomethacin
NOS2_HUMAN

Docking Scores:
-8.01 -9.02 -7.86
Similarity Score:
35.84%
Best Match:
CHEMBL1221659

L: Fenbufen
NOS2_HUMAN

Docking Scores:
-8.18 -8.45 -8.46
Similarity Score:
29.13%
Best Match:
CHEMBL49881

L: Celecoxib
NOS2_HUMAN

Docking Scores:
-8.67 -10.20 -9.96
Similarity Score:
30.14%
Best Match:
CHEMBL374300

L: Diclofenac
NOS2_HUMAN

Docking Scores:
-7.09 -7.50 -8.02
Similarity Score:
34.82%
Best Match:
CHEMBL49881