anti-pain drug v3 #222 Output Download CSV

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Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: Amantadine
PGH2_HUMAN

Docking Scores:
-4.69 -4.93 -5.70
Similarity Score:
13.79%
Best Match:
CHEMBL43864

L: Alfentanil
PGH2_HUMAN

Docking Scores:
-3.17 -4.71 -6.64
Similarity Score:
31.61%
Best Match:
CHEMBL3809156

L: Pimecrolimus
PGH2_HUMAN

Docking Scores:
84.54 54.53 -1.06
Similarity Score:
50.30%
Best Match:
CHEMBL206765

L: Levacetylmethadol
PGH2_HUMAN

Docking Scores:
0.14 -5.26 -5.43
Similarity Score:
47.44%
Best Match:
CHEMBL441414

L: Rofecoxib
PGH2_HUMAN

Docking Scores:
-6.38 -7.55 -7.52
Similarity Score:
100.00%
Best Match:
CHEMBL122

L: Amantadine
PPAP_HUMAN

Docking Scores:
-6.42
Similarity Score:
5.33%
Best Match:
CHEMBL501717

L: Alfentanil
PPAP_HUMAN

Docking Scores:
-6.85
Similarity Score:
13.45%
Best Match:
CHEMBL507996

L: Pimecrolimus
PPAP_HUMAN

Docking Scores:
-7.65
Similarity Score:
11.82%
Best Match:
CHEMBL507996

L: Levacetylmethadol
PPAP_HUMAN

Docking Scores:
-7.37
Similarity Score:
19.64%
Best Match:
CHEMBL501717

L: Rofecoxib
PPAP_HUMAN

Docking Scores:
-8.11
Similarity Score:
14.38%
Best Match:
CHEMBL507996

L: Amantadine
PPARG_HUMAN

Docking Scores:
-4.64 -4.93 -4.88
Similarity Score:
22.03%
Best Match:
CHEMBL1836976

L: Alfentanil
PPARG_HUMAN

Docking Scores:
-7.14 -7.37 -7.57
Similarity Score:
40.46%
Best Match:
CHEMBL177854

L: Pimecrolimus
PPARG_HUMAN

Docking Scores:
-8.07 -6.10 -7.73
Similarity Score:
49.07%
Best Match:
CHEMBL1834952

L: Levacetylmethadol
PPARG_HUMAN

Docking Scores:
-5.82 -6.46 -6.66
Similarity Score:
47.06%
Best Match:
CHEMBL396109

L: Rofecoxib
PPARG_HUMAN

Docking Scores:
-7.87 -9.34 -8.76
Similarity Score:
43.09%
Best Match:
CHEMBL144112

L: Amantadine
PRGR_HUMAN

Docking Scores:
-6.32 -6.04 -5.89
Similarity Score:
18.92%
Best Match:
CHEMBL1684464

L: Alfentanil
PRGR_HUMAN

Docking Scores:
-7.26 -6.73 -8.96
Similarity Score:
38.65%
Best Match:
CHEMBL600466

L: Pimecrolimus
PRGR_HUMAN

Docking Scores:
57.13 57.06 28.66
Similarity Score:
41.10%
Best Match:
CHEMBL1370

L: Levacetylmethadol
PRGR_HUMAN

Docking Scores:
-5.95 -7.00 -8.86
Similarity Score:
39.23%
Best Match:
CHEMBL197161

L: Rofecoxib
PRGR_HUMAN

Docking Scores:
-8.31 -7.77 -8.68
Similarity Score:
37.79%
Best Match:
CHEMBL2419306