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
PDE4B_HUMAN

Docking Scores:
-5.34 -5.28 -5.47
Similarity Score:
12.50%
Best Match:
CHEMBL346083

L: Alfentanil
PDE4B_HUMAN

Docking Scores:
-7.59 -8.23 -8.17
Similarity Score:
33.53%
Best Match:
CHEMBL239299

L: Pimecrolimus
PDE4B_HUMAN

Docking Scores:
-8.56 -8.65 -7.77
Similarity Score:
40.28%
Best Match:
CHEMBL2063002

L: Levacetylmethadol
PDE4B_HUMAN

Docking Scores:
-7.15 -6.68 -7.20
Similarity Score:
41.67%
Best Match:
CHEMBL144499

L: Rofecoxib
PDE4B_HUMAN

Docking Scores:
-9.04 -10.15 -10.10
Similarity Score:
59.52%
Best Match:
CHEMBL197386

L: Amantadine
PDE5A_HUMAN

Docking Scores:
-5.06 -6.15 -5.57
Similarity Score:
12.75%
Best Match:
CHEMBL554946

L: Alfentanil
PDE5A_HUMAN

Docking Scores:
-7.73 -8.27 -7.70
Similarity Score:
31.00%
Best Match:
CHEMBL551948

L: Pimecrolimus
PDE5A_HUMAN

Docking Scores:
-8.05 -8.61 -8.48
Similarity Score:
30.52%
Best Match:
CHEMBL190364

L: Levacetylmethadol
PDE5A_HUMAN

Docking Scores:
-6.99 -6.94 -6.99
Similarity Score:
29.93%
Best Match:
CHEMBL190423

L: Rofecoxib
PDE5A_HUMAN

Docking Scores:
-9.44 -9.93 -9.86
Similarity Score:
22.67%
Best Match:
CHEMBL554051

L: Amantadine
PERM_HUMAN

Docking Scores:
-5.68 -5.97 -5.41
Similarity Score:
15.38%
Best Match:
CHEMBL1630743

L: Alfentanil
PERM_HUMAN

Docking Scores:
-7.35 -7.35 -7.05
Similarity Score:
31.06%
Best Match:
CHEMBL1409565

L: Pimecrolimus
PERM_HUMAN

Docking Scores:
-7.07 -8.79 -10.30
Similarity Score:
22.22%
Best Match:
CHEMBL490

L: Levacetylmethadol
PERM_HUMAN

Docking Scores:
-7.33 -7.69 -7.62
Similarity Score:
37.08%
Best Match:
CHEMBL3892909

L: Rofecoxib
PERM_HUMAN

Docking Scores:
-8.52 -8.77 -8.73
Similarity Score:
20.71%
Best Match:
CHEMBL2347182

L: Amantadine
PGH1_SHEEP

Docking Scores:
-4.83 -6.02 -6.28
Similarity Score:
14.29%
Best Match:
CHEMBL503071

L: Alfentanil
PGH1_SHEEP

Docking Scores:
-6.34 -7.57 -6.88
Similarity Score:
29.63%
Best Match:
CHEMBL9197

L: Pimecrolimus
PGH1_SHEEP

Docking Scores:
46.79 39.86 39.11
Similarity Score:
50.91%
Best Match:
CHEMBL502799

L: Levacetylmethadol
PGH1_SHEEP

Docking Scores:
-4.24 -5.21 -6.68
Similarity Score:
44.87%
Best Match:
CHEMBL1945285

L: Rofecoxib
PGH1_SHEEP

Docking Scores:
-8.30 -8.83 -8.72
Similarity Score:
74.23%
Best Match:
CHEMBL259402