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
NMDE2_HUMAN

Docking Scores:
-6.83 -6.61 -7.18
Similarity Score:
32.14%
Best Match:
CHEMBL161421

L: Mesalazine
NMDE2_HUMAN

Docking Scores:
-6.17 -5.78 -6.35
Similarity Score:
31.73%
Best Match:
CHEMBL2013202

L: Sulfasalazine
NMDE2_HUMAN

Docking Scores:
-9.39 -9.61 -9.43
Similarity Score:
26.01%
Best Match:
CHEMBL218017

L: Methotrimeprazine
NMDE2_HUMAN

Docking Scores:
-7.00 -7.81 -6.17
Similarity Score:
32.11%
Best Match:
CHEMBL147355

L: Ketamine
NMDE2_HUMAN

Docking Scores:
-7.14 -7.55 -6.65
Similarity Score:
48.28%
Best Match:
CHEMBL3357785

L: Aspirin
NMDZ1_HUMAN

Docking Scores:
-7.32 -6.93 -7.27
Similarity Score:
22.47%
Best Match:
CHEMBL162577

L: Mesalazine
NMDZ1_HUMAN

Docking Scores:
-6.53 -6.43 -6.53
Similarity Score:
26.36%
Best Match:
CHEMBL163916

L: Sulfasalazine
NMDZ1_HUMAN

Docking Scores:
-10.22 -10.76 -10.46
Similarity Score:
37.57%
Best Match:
CHEMBL164322

L: Methotrimeprazine
NMDZ1_HUMAN

Docking Scores:
-6.07 -6.63 -6.09
Similarity Score:
18.69%
Best Match:
CHEMBL399075

L: Ketamine
NMDZ1_HUMAN

Docking Scores:
-8.30 -8.54 -8.33
Similarity Score:
30.88%
Best Match:
CHEMBL325825

L: Aspirin
NOS1_HUMAN

Docking Scores:
-6.64 -6.86 -6.31
Similarity Score:
33.03%
Best Match:
CHEMBL4060083

L: Mesalazine
NOS1_HUMAN

Docking Scores:
-7.56 -7.24 -6.64
Similarity Score:
39.68%
Best Match:
CHEMBL542431

L: Sulfasalazine
NOS1_HUMAN

Docking Scores:
-9.75 -9.90 -9.04
Similarity Score:
29.11%
Best Match:
CHEMBL4086610

L: Methotrimeprazine
NOS1_HUMAN

Docking Scores:
-7.64 -7.44 -6.89
Similarity Score:
29.69%
Best Match:
CHEMBL1270460

L: Ketamine
NOS1_HUMAN

Docking Scores:
-6.29 -6.52 -7.21
Similarity Score:
44.21%
Best Match:
CHEMBL258348

L: Aspirin
NOS2_HUMAN

Docking Scores:
-5.95 -5.83 -6.25
Similarity Score:
35.92%
Best Match:
CHEMBL1762473

L: Mesalazine
NOS2_HUMAN

Docking Scores:
-7.28 -5.92 -6.56
Similarity Score:
29.70%
Best Match:
CHEMBL1762473

L: Sulfasalazine
NOS2_HUMAN

Docking Scores:
-8.04 -9.86 -1.95
Similarity Score:
30.80%
Best Match:
CHEMBL223838

L: Methotrimeprazine
NOS2_HUMAN

Docking Scores:
-6.09 -6.62 -6.94
Similarity Score:
40.00%
Best Match:
CHEMBL114551

L: Ketamine
NOS2_HUMAN

Docking Scores:
-5.56 -6.65 -6.78
Similarity Score:
44.21%
Best Match:
CHEMBL258348