anti-pain drug v1 #220 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: Amitriptyline
MTOR_HUMAN

Docking Scores:
-9.47 -9.34 -9.78
Similarity Score:
28.09%
Best Match:
CHEMBL1256461

L: Tramadol
MTOR_HUMAN

Docking Scores:
-7.22 -7.29 -7.50
Similarity Score:
33.96%
Best Match:
CHEMBL3972399

L: Ibuprofen
MTOR_HUMAN

Docking Scores:
-7.90 -7.89 -7.42
Similarity Score:
32.89%
Best Match:
CHEMBL2348411

L: Fenbufen
MTOR_HUMAN

Docking Scores:
-8.95 -9.15 -8.98
Similarity Score:
36.05%
Best Match:
CHEMBL2348411

L: Diclofenac
MTOR_HUMAN

Docking Scores:
-7.87 -8.29 -8.13
Similarity Score:
37.76%
Best Match:
CHEMBL2348411

L: Amitriptyline
NEP_HUMAN

Docking Scores:
-7.67 -6.82 -6.71
Similarity Score:
25.86%
Best Match:
CHEMBL81710

L: Tramadol
NEP_HUMAN

Docking Scores:
-6.48 -7.37 -7.99
Similarity Score:
54.95%
Best Match:
CHEMBL213404

L: Ibuprofen
NEP_HUMAN

Docking Scores:
-8.04 -7.32 -7.52
Similarity Score:
42.86%
Best Match:
CHEMBL4070297

L: Fenbufen
NEP_HUMAN

Docking Scores:
-8.34 -8.95 -9.29
Similarity Score:
68.12%
Best Match:
CHEMBL4070297

L: Diclofenac
NEP_HUMAN

Docking Scores:
-7.82 -6.90 -7.67
Similarity Score:
28.21%
Best Match:
CHEMBL225085

L: Amitriptyline
NK1R_HUMAN

Docking Scores:
-8.65 -9.50 -8.35
Similarity Score:
45.28%
Best Match:
CHEMBL433107

L: Tramadol
NK1R_HUMAN

Docking Scores:
-7.03 -7.91 -7.23
Similarity Score:
58.16%
Best Match:
CHEMBL140101

L: Ibuprofen
NK1R_HUMAN

Docking Scores:
-6.92 -7.25 -6.57
Similarity Score:
43.75%
Best Match:
CHEMBL56811

L: Fenbufen
NK1R_HUMAN

Docking Scores:
-7.96 -8.33 -7.98
Similarity Score:
39.56%
Best Match:
CHEMBL212173

L: Diclofenac
NK1R_HUMAN

Docking Scores:
-7.55 -8.35 -7.84
Similarity Score:
34.69%
Best Match:
CHEMBL92032

L: Amitriptyline
NMDE1_HUMAN

Docking Scores:
-7.76 -7.63 -7.43
Similarity Score:
45.83%
Best Match:
CHEMBL284237

L: Tramadol
NMDE1_HUMAN

Docking Scores:
-7.68 -7.36 -7.75
Similarity Score:
26.32%
Best Match:
CHEMBL284237

L: Ibuprofen
NMDE1_HUMAN

Docking Scores:
-8.13 -7.89 -8.40
Similarity Score:
24.14%
Best Match:
CHEMBL284237

L: Fenbufen
NMDE1_HUMAN

Docking Scores:
-9.33 -9.23 -9.43
Similarity Score:
21.57%
Best Match:
CHEMBL284237

L: Diclofenac
NMDE1_HUMAN

Docking Scores:
-8.50 -8.80 -8.42
Similarity Score:
15.54%
Best Match:
CHEMBL2333945