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
CNR2_HUMAN

Docking Scores:
-9.87 -10.01
Similarity Score:
47.41%
Best Match:
CHEMBL148805

L: Tramadol
CNR2_HUMAN

Docking Scores:
-8.02 -8.23
Similarity Score:
63.73%
Best Match:
CHEMBL1765250

L: Ibuprofen
CNR2_HUMAN

Docking Scores:
-7.61 -7.51
Similarity Score:
55.32%
Best Match:
CHEMBL264412

L: Fenbufen
CNR2_HUMAN

Docking Scores:
-9.28 -9.03
Similarity Score:
62.50%
Best Match:
CHEMBL234014

L: Diclofenac
CNR2_HUMAN

Docking Scores:
-8.58 -8.70
Similarity Score:
38.18%
Best Match:
CHEMBL2326302

L: Amitriptyline
COLI_HUMAN

Docking Scores:
-8.35 -8.47 -6.96
Similarity Score:
N/A
Best Match:
N/A

L: Tramadol
COLI_HUMAN

Docking Scores:
-6.76 -6.89 -6.49
Similarity Score:
N/A
Best Match:
N/A

L: Ibuprofen
COLI_HUMAN

Docking Scores:
-7.62 -7.61 -6.34
Similarity Score:
N/A
Best Match:
N/A

L: Fenbufen
COLI_HUMAN

Docking Scores:
-8.41 -8.60 -7.59
Similarity Score:
N/A
Best Match:
N/A

L: Diclofenac
COLI_HUMAN

Docking Scores:
-7.40 -7.19 -7.23
Similarity Score:
N/A
Best Match:
N/A

L: Amitriptyline
COMT_HUMAN

Docking Scores:
-7.06 -6.68 -6.95
Similarity Score:
21.13%
Best Match:
CHEMBL953

L: Tramadol
COMT_HUMAN

Docking Scores:
-5.26 -5.22 -5.33
Similarity Score:
32.58%
Best Match:
CHEMBL3425731

L: Ibuprofen
COMT_HUMAN

Docking Scores:
-5.73 -5.76 -6.03
Similarity Score:
23.16%
Best Match:
CHEMBL1324

L: Fenbufen
COMT_HUMAN

Docking Scores:
-6.42 -7.03 -6.90
Similarity Score:
26.35%
Best Match:
CHEMBL3425740

L: Diclofenac
COMT_HUMAN

Docking Scores:
-6.26 -6.12 -6.36
Similarity Score:
22.76%
Best Match:
CHEMBL1324

L: Amitriptyline
CRP_HUMAN

Docking Scores:
-6.95 -5.78
Similarity Score:
N/A
Best Match:
N/A

L: Tramadol
CRP_HUMAN

Docking Scores:
-5.16 -5.33
Similarity Score:
N/A
Best Match:
N/A

L: Ibuprofen
CRP_HUMAN

Docking Scores:
-5.53 -5.09
Similarity Score:
N/A
Best Match:
N/A

L: Fenbufen
CRP_HUMAN

Docking Scores:
-5.91 -6.04
Similarity Score:
N/A
Best Match:
N/A

L: Diclofenac
CRP_HUMAN

Docking Scores:
-5.84 -5.77
Similarity Score:
N/A
Best Match:
N/A