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
MDR1_HUMAN

Docking Scores:
-8.67 -8.21
Similarity Score:
100.00%
Best Match:
CHEMBL629

L: Tramadol
MDR1_HUMAN

Docking Scores:
-6.73 -6.84
Similarity Score:
69.51%
Best Match:
CHEMBL637

L: Ibuprofen
MDR1_HUMAN

Docking Scores:
-6.53 -6.95
Similarity Score:
54.55%
Best Match:
CHEMBL914

L: Fenbufen
MDR1_HUMAN

Docking Scores:
-7.62 -8.67
Similarity Score:
47.14%
Best Match:
CHEMBL45068

L: Diclofenac
MDR1_HUMAN

Docking Scores:
-7.33 -7.51
Similarity Score:
41.05%
Best Match:
CHEMBL72

L: Amitriptyline
MIF_HUMAN

Docking Scores:
-7.71 -7.21 -6.71
Similarity Score:
21.28%
Best Match:
CHEMBL3797437

L: Tramadol
MIF_HUMAN

Docking Scores:
-6.41 -6.39 -6.76
Similarity Score:
33.12%
Best Match:
CHEMBL554271

L: Ibuprofen
MIF_HUMAN

Docking Scores:
-7.81 -7.69 -8.05
Similarity Score:
25.45%
Best Match:
CHEMBL209588

L: Fenbufen
MIF_HUMAN

Docking Scores:
-8.65 -8.63 -8.70
Similarity Score:
31.62%
Best Match:
CHEMBL209588

L: Diclofenac
MIF_HUMAN

Docking Scores:
-6.09 -6.49 -5.81
Similarity Score:
25.89%
Best Match:
CHEMBL223319

L: Amitriptyline
MK01_HUMAN

Docking Scores:
-7.41 -8.39 -6.87
Similarity Score:
32.04%
Best Match:
CHEMBL1909070

L: Tramadol
MK01_HUMAN

Docking Scores:
-6.56 -6.41 -5.69
Similarity Score:
41.88%
Best Match:
CHEMBL3752989

L: Ibuprofen
MK01_HUMAN

Docking Scores:
-6.63 -6.30 -6.59
Similarity Score:
36.84%
Best Match:
CHEMBL1909070

L: Fenbufen
MK01_HUMAN

Docking Scores:
-7.85 -7.57 -7.26
Similarity Score:
40.40%
Best Match:
CHEMBL1998545

L: Diclofenac
MK01_HUMAN

Docking Scores:
-7.07 -7.62 -7.94
Similarity Score:
33.06%
Best Match:
CHEMBL2003341

L: Amitriptyline
MK03_HUMAN

Docking Scores:
-7.41 -8.46 -8.05
Similarity Score:
19.05%
Best Match:
CHEMBL3798926

L: Tramadol
MK03_HUMAN

Docking Scores:
-7.09 -6.81 -6.47
Similarity Score:
32.54%
Best Match:
CHEMBL3113587

L: Ibuprofen
MK03_HUMAN

Docking Scores:
-7.04 -6.86 -5.94
Similarity Score:
23.58%
Best Match:
CHEMBL3113587

L: Fenbufen
MK03_HUMAN

Docking Scores:
-7.94 -8.42 -7.09
Similarity Score:
32.50%
Best Match:
CHEMBL3798926

L: Diclofenac
MK03_HUMAN

Docking Scores:
-7.75 -7.65 -7.67
Similarity Score:
25.49%
Best Match:
CHEMBL3798624