anti-pain drug v1 #220 Output Download CSV

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

Docking Scores:
-6.08 -7.03 -8.69
Similarity Score:
50.47%
Best Match:
CHEMBL80047

L: Tramadol
PGH2_HUMAN

Docking Scores:
-4.91 -5.51 -7.05
Similarity Score:
43.40%
Best Match:
CHEMBL226109

L: Ibuprofen
PGH2_HUMAN

Docking Scores:
-7.38 -7.47 -7.29
Similarity Score:
100.00%
Best Match:
CHEMBL427526

L: Fenbufen
PGH2_HUMAN

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

L: Diclofenac
PGH2_HUMAN

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

L: Amitriptyline
PPAP_HUMAN

Docking Scores:
-7.98
Similarity Score:
19.64%
Best Match:
CHEMBL501717

L: Tramadol
PPAP_HUMAN

Docking Scores:
-6.57
Similarity Score:
29.91%
Best Match:
CHEMBL507996

L: Ibuprofen
PPAP_HUMAN

Docking Scores:
-6.28
Similarity Score:
20.00%
Best Match:
CHEMBL501717

L: Fenbufen
PPAP_HUMAN

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

L: Diclofenac
PPAP_HUMAN

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

L: Amitriptyline
PPARG_HUMAN

Docking Scores:
-8.70 -8.29 -8.73
Similarity Score:
38.10%
Best Match:
CHEMBL515204

L: Tramadol
PPARG_HUMAN

Docking Scores:
-6.11 -7.49 -6.66
Similarity Score:
51.92%
Best Match:
CHEMBL119097

L: Ibuprofen
PPARG_HUMAN

Docking Scores:
-6.46 -6.84 -6.75
Similarity Score:
55.00%
Best Match:
CHEMBL396109

L: Fenbufen
PPARG_HUMAN

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

L: Diclofenac
PPARG_HUMAN

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

L: Amitriptyline
PRGR_HUMAN

Docking Scores:
-8.49 -8.16 -9.05
Similarity Score:
55.67%
Best Match:
CHEMBL3120320

L: Tramadol
PRGR_HUMAN

Docking Scores:
-7.58 -7.33 -6.97
Similarity Score:
54.65%
Best Match:
CHEMBL511812

L: Ibuprofen
PRGR_HUMAN

Docking Scores:
-7.33 -7.39 -6.85
Similarity Score:
45.31%
Best Match:
CHEMBL566982

L: Fenbufen
PRGR_HUMAN

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

L: Diclofenac
PRGR_HUMAN

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