anti-pain drug v1 #220 Output Download CSV

View All
Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: Amitriptyline
NMDE2_HUMAN

Docking Scores:
-10.22 -9.57 -8.95
Similarity Score:
37.65%
Best Match:
CHEMBL296601

L: Tramadol
NMDE2_HUMAN

Docking Scores:
-7.56 -7.87 -6.57
Similarity Score:
74.16%
Best Match:
CHEMBL3357783

L: Ibuprofen
NMDE2_HUMAN

Docking Scores:
-8.30 -8.29 -8.32
Similarity Score:
33.78%
Best Match:
CHEMBL305187

L: Fenbufen
NMDE2_HUMAN

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

L: Diclofenac
NMDE2_HUMAN

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

L: Amitriptyline
NMDZ1_HUMAN

Docking Scores:
-8.00 -7.48 -7.43
Similarity Score:
22.79%
Best Match:
CHEMBL419399

L: Tramadol
NMDZ1_HUMAN

Docking Scores:
-7.72 -7.57 -7.75
Similarity Score:
34.65%
Best Match:
CHEMBL419399

L: Ibuprofen
NMDZ1_HUMAN

Docking Scores:
-8.17 -8.01 -8.40
Similarity Score:
26.17%
Best Match:
CHEMBL419399

L: Fenbufen
NMDZ1_HUMAN

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

L: Diclofenac
NMDZ1_HUMAN

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

L: Amitriptyline
NOS1_HUMAN

Docking Scores:
-8.69 -8.45 -8.09
Similarity Score:
26.52%
Best Match:
CHEMBL2036264

L: Tramadol
NOS1_HUMAN

Docking Scores:
-6.93 -7.08 -7.36
Similarity Score:
43.33%
Best Match:
CHEMBL85613

L: Ibuprofen
NOS1_HUMAN

Docking Scores:
-7.96 -7.83 -7.40
Similarity Score:
36.84%
Best Match:
CHEMBL298404

L: Fenbufen
NOS1_HUMAN

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

L: Diclofenac
NOS1_HUMAN

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

L: Amitriptyline
NOS2_HUMAN

Docking Scores:
-6.75 -8.32 -8.65
Similarity Score:
30.68%
Best Match:
CHEMBL450583

L: Tramadol
NOS2_HUMAN

Docking Scores:
-5.70 -7.07 -7.08
Similarity Score:
50.94%
Best Match:
CHEMBL1762475

L: Ibuprofen
NOS2_HUMAN

Docking Scores:
-7.52 -7.58 -7.92
Similarity Score:
33.87%
Best Match:
CHEMBL450583

L: Fenbufen
NOS2_HUMAN

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

L: Diclofenac
NOS2_HUMAN

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