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
HPGDS_HUMAN

Docking Scores:
-9.02 -7.11 -6.84
Similarity Score:
20.34%
Best Match:
CHEMBL3698265

L: Tramadol
HPGDS_HUMAN

Docking Scores:
-6.90 -5.55 -5.43
Similarity Score:
28.40%
Best Match:
CHEMBL3698265

L: Ibuprofen
HPGDS_HUMAN

Docking Scores:
-6.73 -6.80 -7.49
Similarity Score:
22.45%
Best Match:
CHEMBL3907283

L: Fenbufen
HPGDS_HUMAN

Docking Scores:
-7.14 -7.68 -8.68
Similarity Score:
31.58%
Best Match:
CHEMBL2035656

L: Diclofenac
HPGDS_HUMAN

Docking Scores:
-7.28 -6.68 -7.62
Similarity Score:
30.18%
Best Match:
CHEMBL572528

L: Amitriptyline
HRH1_HUMAN

Docking Scores:
-9.96
Similarity Score:
100.00%
Best Match:
CHEMBL629

L: Tramadol
HRH1_HUMAN

Docking Scores:
-6.54
Similarity Score:
59.22%
Best Match:
CHEMBL476839

L: Ibuprofen
HRH1_HUMAN

Docking Scores:
-8.05
Similarity Score:
54.55%
Best Match:
CHEMBL914

L: Fenbufen
HRH1_HUMAN

Docking Scores:
-8.41
Similarity Score:
48.72%
Best Match:
CHEMBL570033

L: Diclofenac
HRH1_HUMAN

Docking Scores:
-8.69
Similarity Score:
47.06%
Best Match:
CHEMBL2158825

L: Amitriptyline
HYES_HUMAN

Docking Scores:
-8.23 -8.51 -8.03
Similarity Score:
31.96%
Best Match:
CHEMBL556303

L: Tramadol
HYES_HUMAN

Docking Scores:
-7.17 -6.93 -6.57
Similarity Score:
52.38%
Best Match:
CHEMBL244406

L: Ibuprofen
HYES_HUMAN

Docking Scores:
-7.03 -7.58 -7.41
Similarity Score:
38.71%
Best Match:
CHEMBL3763278

L: Fenbufen
HYES_HUMAN

Docking Scores:
-8.36 -8.76 -9.08
Similarity Score:
47.67%
Best Match:
CHEMBL3765160

L: Diclofenac
HYES_HUMAN

Docking Scores:
-8.00 -8.24 -6.89
Similarity Score:
37.61%
Best Match:
CHEMBL478147

L: Amitriptyline
IKKB_HUMAN

Docking Scores:
-7.66
Similarity Score:
32.64%
Best Match:
CHEMBL602534

L: Tramadol
IKKB_HUMAN

Docking Scores:
-6.62
Similarity Score:
45.45%
Best Match:
CHEMBL3318321

L: Ibuprofen
IKKB_HUMAN

Docking Scores:
-6.80
Similarity Score:
36.71%
Best Match:
CHEMBL3318321

L: Fenbufen
IKKB_HUMAN

Docking Scores:
-8.69
Similarity Score:
53.09%
Best Match:
CHEMBL3318321

L: Diclofenac
IKKB_HUMAN

Docking Scores:
-7.95
Similarity Score:
29.66%
Best Match:
CHEMBL3823257