anti-pain drug v1 #220 Output Download CSV

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  The docking scores are in the AutoDock Vina metric.
L: Amitriptyline
CXCR1_HUMAN

Docking Scores:
-9.20
Similarity Score:
24.75%
Best Match:
CHEMBL191413

L: Tramadol
CXCR1_HUMAN

Docking Scores:
-7.34
Similarity Score:
26.88%
Best Match:
CHEMBL490688

L: Ibuprofen
CXCR1_HUMAN

Docking Scores:
-7.43
Similarity Score:
44.62%
Best Match:
CHEMBL191413

L: Fenbufen
CXCR1_HUMAN

Docking Scores:
-7.43
Similarity Score:
30.95%
Best Match:
CHEMBL191413

L: Diclofenac
CXCR1_HUMAN

Docking Scores:
-7.66
Similarity Score:
100.00%
Best Match:
CHEMBL139

L: Amitriptyline
CXCR4_HUMAN

Docking Scores:
-8.26 -6.94 -8.06
Similarity Score:
28.32%
Best Match:
CHEMBL126657

L: Tramadol
CXCR4_HUMAN

Docking Scores:
-6.88 -6.22 -6.65
Similarity Score:
37.25%
Best Match:
CHEMBL1644072

L: Ibuprofen
CXCR4_HUMAN

Docking Scores:
-8.11 -5.46 -6.38
Similarity Score:
25.00%
Best Match:
CHEMBL2180085

L: Fenbufen
CXCR4_HUMAN

Docking Scores:
-8.31 -7.00 -7.54
Similarity Score:
27.20%
Best Match:
CHEMBL366033

L: Diclofenac
CXCR4_HUMAN

Docking Scores:
-7.70 -6.68 -7.09
Similarity Score:
28.18%
Best Match:
CHEMBL3908835

L: Amitriptyline
DRD2_HUMAN

Docking Scores:
-8.63
Similarity Score:
100.00%
Best Match:
CHEMBL629

L: Tramadol
DRD2_HUMAN

Docking Scores:
-6.64
Similarity Score:
64.00%
Best Match:
CHEMBL1946122

L: Ibuprofen
DRD2_HUMAN

Docking Scores:
-7.04
Similarity Score:
38.89%
Best Match:
CHEMBL1258270

L: Fenbufen
DRD2_HUMAN

Docking Scores:
-9.03
Similarity Score:
45.00%
Best Match:
CHEMBL1258270

L: Diclofenac
DRD2_HUMAN

Docking Scores:
-7.22
Similarity Score:
46.53%
Best Match:
CHEMBL415

L: Amitriptyline
DRD3_HUMAN

Docking Scores:
-8.14
Similarity Score:
100.00%
Best Match:
CHEMBL629

L: Tramadol
DRD3_HUMAN

Docking Scores:
-6.73
Similarity Score:
64.00%
Best Match:
CHEMBL3321789

L: Ibuprofen
DRD3_HUMAN

Docking Scores:
-7.07
Similarity Score:
39.71%
Best Match:
CHEMBL1765637

L: Fenbufen
DRD3_HUMAN

Docking Scores:
-8.20
Similarity Score:
45.00%
Best Match:
CHEMBL1258270

L: Diclofenac
DRD3_HUMAN

Docking Scores:
-7.96
Similarity Score:
46.53%
Best Match:
CHEMBL415