anti-pain drug v1 #220 Output Download CSV

View All
Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: Amitriptyline
PTGES_HUMAN

Docking Scores:
-6.84
Similarity Score:
33.83%
Best Match:
CHEMBL3608859

L: Tramadol
PTGES_HUMAN

Docking Scores:
-6.12
Similarity Score:
43.31%
Best Match:
CHEMBL4084995

L: Ibuprofen
PTGES_HUMAN

Docking Scores:
-6.31
Similarity Score:
34.48%
Best Match:
CHEMBL584927

L: Fenbufen
PTGES_HUMAN

Docking Scores:
-6.92
Similarity Score:
37.04%
Best Match:
CHEMBL3608374

L: Diclofenac
PTGES_HUMAN

Docking Scores:
-6.52
Similarity Score:
35.14%
Best Match:
CHEMBL1683859

L: Amitriptyline
SC6A4_HUMAN

Docking Scores:
-9.83 -9.58 -8.92
Similarity Score:
100.00%
Best Match:
CHEMBL445

L: Tramadol
SC6A4_HUMAN

Docking Scores:
-7.47 -7.86 -8.30
Similarity Score:
100.00%
Best Match:
CHEMBL1237044

L: Ibuprofen
SC6A4_HUMAN

Docking Scores:
-7.42 -7.28 -7.76
Similarity Score:
51.06%
Best Match:
CHEMBL3769872

L: Fenbufen
SC6A4_HUMAN

Docking Scores:
-8.90 -8.60 -8.50
Similarity Score:
55.22%
Best Match:
CHEMBL2111613

L: Diclofenac
SC6A4_HUMAN

Docking Scores:
-8.20 -8.33 -8.76
Similarity Score:
46.53%
Best Match:
CHEMBL415

L: Amitriptyline
SCN9A_HUMAN

Docking Scores:
-6.14
Similarity Score:
29.63%
Best Match:
CHEMBL2152693

L: Tramadol
SCN9A_HUMAN

Docking Scores:
-8.09
Similarity Score:
57.14%
Best Match:
CHEMBL203440

L: Ibuprofen
SCN9A_HUMAN

Docking Scores:
-7.75
Similarity Score:
30.12%
Best Match:
CHEMBL381488

L: Fenbufen
SCN9A_HUMAN

Docking Scores:
-9.31
Similarity Score:
36.63%
Best Match:
CHEMBL206758

L: Diclofenac
SCN9A_HUMAN

Docking Scores:
-7.61
Similarity Score:
37.41%
Best Match:
CHEMBL3581050

L: Amitriptyline
TLR4_HUMAN

Docking Scores:
-8.90 -8.43 -8.81
Similarity Score:
17.76%
Best Match:
CHEMBL4071705

L: Tramadol
TLR4_HUMAN

Docking Scores:
-6.92 -6.80 -6.52
Similarity Score:
37.50%
Best Match:
CHEMBL382272

L: Ibuprofen
TLR4_HUMAN

Docking Scores:
-7.22 -7.80 -7.59
Similarity Score:
25.00%
Best Match:
CHEMBL2419464

L: Fenbufen
TLR4_HUMAN

Docking Scores:
-7.89 -8.43 -7.89
Similarity Score:
25.35%
Best Match:
CHEMBL382272

L: Diclofenac
TLR4_HUMAN

Docking Scores:
-7.37 -7.23 -7.52
Similarity Score:
23.74%
Best Match:
CHEMBL2419459