anti-pain drug v2 #221 Output Download CSV

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Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: Aspirin
PDE4B_HUMAN

Docking Scores:
-6.36 -7.14 -7.15
Similarity Score:
32.69%
Best Match:
CHEMBL2172710

L: Mesalazine
PDE4B_HUMAN

Docking Scores:
-6.08 -6.33 -6.28
Similarity Score:
32.67%
Best Match:
CHEMBL3315270

L: Sulfasalazine
PDE4B_HUMAN

Docking Scores:
-9.73 -9.54 -8.96
Similarity Score:
40.94%
Best Match:
CHEMBL576479

L: Methotrimeprazine
PDE4B_HUMAN

Docking Scores:
-7.08 -7.06 -7.10
Similarity Score:
25.36%
Best Match:
CHEMBL35486

L: Ketamine
PDE4B_HUMAN

Docking Scores:
-6.80 -6.55 -7.23
Similarity Score:
36.22%
Best Match:
CHEMBL3315258

L: Aspirin
PDE5A_HUMAN

Docking Scores:
-6.61 -6.38 -6.44
Similarity Score:
40.57%
Best Match:
CHEMBL363889

L: Mesalazine
PDE5A_HUMAN

Docking Scores:
-6.33 -6.03 -5.92
Similarity Score:
32.73%
Best Match:
CHEMBL116818

L: Sulfasalazine
PDE5A_HUMAN

Docking Scores:
-9.56 -10.11 -9.91
Similarity Score:
33.19%
Best Match:
CHEMBL79579

L: Methotrimeprazine
PDE5A_HUMAN

Docking Scores:
-6.66 -8.36 -6.64
Similarity Score:
24.52%
Best Match:
CHEMBL8132

L: Ketamine
PDE5A_HUMAN

Docking Scores:
-6.58 -7.58 -7.00
Similarity Score:
33.09%
Best Match:
CHEMBL190423

L: Aspirin
PERM_HUMAN

Docking Scores:
-6.04 -7.00 -5.98
Similarity Score:
38.24%
Best Match:
CHEMBL309339

L: Mesalazine
PERM_HUMAN

Docking Scores:
-6.59 -6.65 -6.17
Similarity Score:
49.25%
Best Match:
CHEMBL686

L: Sulfasalazine
PERM_HUMAN

Docking Scores:
-8.51 -8.92 -8.58
Similarity Score:
28.12%
Best Match:
CHEMBL3741401

L: Methotrimeprazine
PERM_HUMAN

Docking Scores:
-6.63 -6.57 -6.62
Similarity Score:
31.50%
Best Match:
CHEMBL490

L: Ketamine
PERM_HUMAN

Docking Scores:
-6.62 -7.15 -7.03
Similarity Score:
40.45%
Best Match:
CHEMBL3892909

L: Aspirin
PGH1_SHEEP

Docking Scores:
-6.16 -6.65 -6.06
Similarity Score:
100.00%
Best Match:
CHEMBL25

L: Mesalazine
PGH1_SHEEP

Docking Scores:
-6.05 -5.81 -6.43
Similarity Score:
51.56%
Best Match:
CHEMBL25

L: Sulfasalazine
PGH1_SHEEP

Docking Scores:
-9.54 -9.57 -9.55
Similarity Score:
32.14%
Best Match:
CHEMBL298031

L: Methotrimeprazine
PGH1_SHEEP

Docking Scores:
-5.10 -6.10 -6.36
Similarity Score:
31.53%
Best Match:
CHEMBL1096320

L: Ketamine
PGH1_SHEEP

Docking Scores:
-5.69 -7.69 -7.90
Similarity Score:
39.76%
Best Match:
CHEMBL1945285