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
PDE4B_HUMAN

Docking Scores:
-9.89 -9.08 -9.37
Similarity Score:
22.58%
Best Match:
CHEMBL36724

L: Tramadol
PDE4B_HUMAN

Docking Scores:
-6.42 -7.31 -7.54
Similarity Score:
55.36%
Best Match:
CHEMBL144499

L: Ibuprofen
PDE4B_HUMAN

Docking Scores:
-7.37 -7.59 -7.75
Similarity Score:
31.68%
Best Match:
CHEMBL3315269

L: Fenbufen
PDE4B_HUMAN

Docking Scores:
-8.63 -9.00 -8.92
Similarity Score:
39.13%
Best Match:
CHEMBL253083

L: Diclofenac
PDE4B_HUMAN

Docking Scores:
-8.10 -8.03 -8.13
Similarity Score:
51.82%
Best Match:
CHEMBL3315269

L: Amitriptyline
PDE5A_HUMAN

Docking Scores:
-8.08 -10.38 -9.19
Similarity Score:
22.60%
Best Match:
CHEMBL422006

L: Tramadol
PDE5A_HUMAN

Docking Scores:
-6.42 -7.24 -6.80
Similarity Score:
41.09%
Best Match:
CHEMBL190423

L: Ibuprofen
PDE5A_HUMAN

Docking Scores:
-7.69 -7.38 -7.24
Similarity Score:
22.94%
Best Match:
CHEMBL362755

L: Fenbufen
PDE5A_HUMAN

Docking Scores:
-8.55 -8.56 -9.13
Similarity Score:
27.56%
Best Match:
CHEMBL190423

L: Diclofenac
PDE5A_HUMAN

Docking Scores:
-7.21 -8.35 -7.97
Similarity Score:
28.36%
Best Match:
CHEMBL332898

L: Amitriptyline
PERM_HUMAN

Docking Scores:
-9.05 -9.45 -9.20
Similarity Score:
31.58%
Best Match:
CHEMBL3920217

L: Tramadol
PERM_HUMAN

Docking Scores:
-6.98 -7.15 -7.06
Similarity Score:
47.79%
Best Match:
CHEMBL490

L: Ibuprofen
PERM_HUMAN

Docking Scores:
-6.67 -6.65 -6.70
Similarity Score:
32.35%
Best Match:
CHEMBL3892909

L: Fenbufen
PERM_HUMAN

Docking Scores:
-7.94 -8.57 -7.98
Similarity Score:
32.53%
Best Match:
CHEMBL4096954

L: Diclofenac
PERM_HUMAN

Docking Scores:
-7.60 -7.78 -7.78
Similarity Score:
41.57%
Best Match:
CHEMBL686

L: Amitriptyline
PGH1_SHEEP

Docking Scores:
-6.36 -9.88 -8.43
Similarity Score:
44.00%
Best Match:
CHEMBL376583

L: Tramadol
PGH1_SHEEP

Docking Scores:
-5.51 -7.31 -7.59
Similarity Score:
42.11%
Best Match:
CHEMBL3774686

L: Ibuprofen
PGH1_SHEEP

Docking Scores:
-7.27 -7.29 -7.36
Similarity Score:
100.00%
Best Match:
CHEMBL175

L: Fenbufen
PGH1_SHEEP

Docking Scores:
-8.54 -8.46 -8.03
Similarity Score:
56.90%
Best Match:
CHEMBL317434

L: Diclofenac
PGH1_SHEEP

Docking Scores:
-6.22 -8.31 -8.48
Similarity Score:
100.00%
Best Match:
CHEMBL139