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
AA1R_HUMAN

Docking Scores:
-8.56 -8.94 -9.39
Similarity Score:
27.04%
Best Match:
CHEMBL2382438

L: Tramadol
AA1R_HUMAN

Docking Scores:
-7.41 -7.22 -7.24
Similarity Score:
37.91%
Best Match:
CHEMBL3317576

L: Ibuprofen
AA1R_HUMAN

Docking Scores:
-7.23 -7.03 -7.92
Similarity Score:
31.46%
Best Match:
CHEMBL1544

L: Fenbufen
AA1R_HUMAN

Docking Scores:
-8.39 -9.30 -8.69
Similarity Score:
30.36%
Best Match:
CHEMBL221407

L: Diclofenac
AA1R_HUMAN

Docking Scores:
-7.29 -7.36 -7.74
Similarity Score:
29.75%
Best Match:
CHEMBL2260644

L: Amitriptyline
AA2AR_HUMAN

Docking Scores:
-9.09 -9.38 -9.90
Similarity Score:
30.85%
Best Match:
CHEMBL86771

L: Tramadol
AA2AR_HUMAN

Docking Scores:
-6.78 -6.92 -8.10
Similarity Score:
37.91%
Best Match:
CHEMBL3317576

L: Ibuprofen
AA2AR_HUMAN

Docking Scores:
-7.12 -7.39 -7.43
Similarity Score:
26.39%
Best Match:
CHEMBL86771

L: Fenbufen
AA2AR_HUMAN

Docking Scores:
-8.52 -8.62 -8.64
Similarity Score:
29.31%
Best Match:
CHEMBL225460

L: Diclofenac
AA2AR_HUMAN

Docking Scores:
-7.76 -7.71 -8.16
Similarity Score:
34.91%
Best Match:
CHEMBL603094

L: Amitriptyline
ACES_HUMAN

Docking Scores:
-10.17 -9.24 -9.47
Similarity Score:
42.86%
Best Match:
CHEMBL52347

L: Tramadol
ACES_HUMAN

Docking Scores:
-7.73 -7.87 -7.81
Similarity Score:
65.05%
Best Match:
CHEMBL1083056

L: Ibuprofen
ACES_HUMAN

Docking Scores:
-7.67 -7.22 -8.03
Similarity Score:
52.73%
Best Match:
CHEMBL157327

L: Fenbufen
ACES_HUMAN

Docking Scores:
-8.61 -8.39 -9.47
Similarity Score:
58.73%
Best Match:
CHEMBL157327

L: Diclofenac
ACES_HUMAN

Docking Scores:
-8.71 -8.16 -9.38
Similarity Score:
35.43%
Best Match:
CHEMBL1085858

L: Amitriptyline
ACE_HUMAN

Docking Scores:
-8.29 -8.25 -7.14
Similarity Score:
24.77%
Best Match:
CHEMBL10247

L: Tramadol
ACE_HUMAN

Docking Scores:
-6.78 -6.84 -6.72
Similarity Score:
45.53%
Best Match:
CHEMBL254495

L: Ibuprofen
ACE_HUMAN

Docking Scores:
-6.79 -6.29 -5.89
Similarity Score:
46.27%
Best Match:
CHEMBL80667

L: Fenbufen
ACE_HUMAN

Docking Scores:
-8.59 -7.26 -7.07
Similarity Score:
43.82%
Best Match:
CHEMBL258333

L: Diclofenac
ACE_HUMAN

Docking Scores:
-7.45 -7.41 -7.29
Similarity Score:
29.63%
Best Match:
CHEMBL23849