LTJv2 #75 Output Download CSV

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Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: Etoricoxib
PDE4B_HUMAN

Docking Scores:
-9.54 -9.64 -9.65
Similarity Score:
55.88%
Best Match:
CHEMBL1957298

L: Indomethacin
PDE4B_HUMAN

Docking Scores:
-9.30 -9.28 -9.17
Similarity Score:
43.48%
Best Match:
CHEMBL290191

L: Fenbufen
PDE4B_HUMAN

Docking Scores:
-8.63 -9.00 -8.92
Similarity Score:
39.13%
Best Match:
CHEMBL253083

L: Celecoxib
PDE4B_HUMAN

Docking Scores:
-10.63 -11.38 -11.28
Similarity Score:
38.22%
Best Match:
CHEMBL3629001

L: Diclofenac
PDE4B_HUMAN

Docking Scores:
-8.10 -8.03 -8.13
Similarity Score:
51.82%
Best Match:
CHEMBL3315269

L: Etoricoxib
PDE5A_HUMAN

Docking Scores:
-9.47 -10.07 -9.56
Similarity Score:
38.38%
Best Match:
CHEMBL3742354

L: Indomethacin
PDE5A_HUMAN

Docking Scores:
-9.11 -9.95 -9.38
Similarity Score:
46.00%
Best Match:
CHEMBL245850

L: Fenbufen
PDE5A_HUMAN

Docking Scores:
-8.55 -8.56 -9.13
Similarity Score:
27.56%
Best Match:
CHEMBL190423

L: Celecoxib
PDE5A_HUMAN

Docking Scores:
-10.49 -11.28 -10.63
Similarity Score:
40.00%
Best Match:
CHEMBL543016

L: Diclofenac
PDE5A_HUMAN

Docking Scores:
-7.21 -8.35 -7.97
Similarity Score:
28.36%
Best Match:
CHEMBL332898

L: Etoricoxib
PERM_HUMAN

Docking Scores:
-8.48 -8.66 -8.34
Similarity Score:
23.08%
Best Match:
CHEMBL2347182

L: Indomethacin
PERM_HUMAN

Docking Scores:
-8.42 -8.77 -8.79
Similarity Score:
38.99%
Best Match:
CHEMBL2347029

L: Fenbufen
PERM_HUMAN

Docking Scores:
-7.94 -8.57 -7.98
Similarity Score:
32.53%
Best Match:
CHEMBL4096954

L: Celecoxib
PERM_HUMAN

Docking Scores:
-9.09 -9.30 -9.28
Similarity Score:
31.53%
Best Match:
CHEMBL3633251

L: Diclofenac
PERM_HUMAN

Docking Scores:
-7.60 -7.78 -7.78
Similarity Score:
41.57%
Best Match:
CHEMBL686

L: Etoricoxib
PGH1_SHEEP

Docking Scores:
-7.06 -6.79 -8.70
Similarity Score:
41.36%
Best Match:
CHEMBL389379

L: Indomethacin
PGH1_SHEEP

Docking Scores:
-6.52 -7.10 -8.65
Similarity Score:
100.00%
Best Match:
CHEMBL6

L: Fenbufen
PGH1_SHEEP

Docking Scores:
-8.54 -8.46 -8.03
Similarity Score:
56.90%
Best Match:
CHEMBL317434

L: Celecoxib
PGH1_SHEEP

Docking Scores:
-8.15 -7.62 -8.64
Similarity Score:
84.21%
Best Match:
CHEMBL280636

L: Diclofenac
PGH1_SHEEP

Docking Scores:
-6.22 -8.31 -8.48
Similarity Score:
100.00%
Best Match:
CHEMBL139