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
MTOR_HUMAN

Docking Scores:
-6.33 -6.36 -6.18
Similarity Score:
28.80%
Best Match:
CHEMBL1241300

L: Mesalazine
MTOR_HUMAN

Docking Scores:
-5.46 -5.55 -5.61
Similarity Score:
31.36%
Best Match:
CHEMBL1667869

L: Sulfasalazine
MTOR_HUMAN

Docking Scores:
-9.06 -9.63 -9.04
Similarity Score:
45.96%
Best Match:
CHEMBL3594042

L: Methotrimeprazine
MTOR_HUMAN

Docking Scores:
-7.66 -7.55 -7.71
Similarity Score:
30.28%
Best Match:
CHEMBL3972399

L: Ketamine
MTOR_HUMAN

Docking Scores:
-7.43 -8.16 -7.40
Similarity Score:
31.28%
Best Match:
CHEMBL4100500

L: Aspirin
NEP_HUMAN

Docking Scores:
-6.69 -6.58 -6.88
Similarity Score:
29.69%
Best Match:
CHEMBL254493

L: Mesalazine
NEP_HUMAN

Docking Scores:
-6.03 -6.39 -6.14
Similarity Score:
27.36%
Best Match:
CHEMBL273672

L: Sulfasalazine
NEP_HUMAN

Docking Scores:
-8.53 -8.71 -9.19
Similarity Score:
22.82%
Best Match:
CHEMBL92949

L: Methotrimeprazine
NEP_HUMAN

Docking Scores:
-6.26 -6.23 -6.12
Similarity Score:
36.89%
Best Match:
CHEMBL3298941

L: Ketamine
NEP_HUMAN

Docking Scores:
-5.94 -7.39 -6.96
Similarity Score:
47.87%
Best Match:
CHEMBL378050

L: Aspirin
NK1R_HUMAN

Docking Scores:
-6.09 -6.16 -6.29
Similarity Score:
30.43%
Best Match:
CHEMBL93909

L: Mesalazine
NK1R_HUMAN

Docking Scores:
-5.53 -5.74 -5.35
Similarity Score:
28.46%
Best Match:
CHEMBL424301

L: Sulfasalazine
NK1R_HUMAN

Docking Scores:
-8.87 -8.55 -8.50
Similarity Score:
34.72%
Best Match:
CHEMBL453314

L: Methotrimeprazine
NK1R_HUMAN

Docking Scores:
-7.35 -7.29 -6.97
Similarity Score:
34.67%
Best Match:
CHEMBL119990

L: Ketamine
NK1R_HUMAN

Docking Scores:
-7.09 -6.95 -6.75
Similarity Score:
59.14%
Best Match:
CHEMBL1817821

L: Aspirin
NMDE1_HUMAN

Docking Scores:
-7.35 -6.92 -7.27
Similarity Score:
16.67%
Best Match:
CHEMBL2333945

L: Mesalazine
NMDE1_HUMAN

Docking Scores:
-6.58 -6.30 -6.53
Similarity Score:
16.00%
Best Match:
CHEMBL2333945

L: Sulfasalazine
NMDE1_HUMAN

Docking Scores:
-9.76 -10.68 -10.46
Similarity Score:
27.59%
Best Match:
CHEMBL2333945

L: Methotrimeprazine
NMDE1_HUMAN

Docking Scores:
-5.93 -5.98 -6.09
Similarity Score:
13.39%
Best Match:
CHEMBL284237

L: Ketamine
NMDE1_HUMAN

Docking Scores:
-8.37 -8.56 -8.33
Similarity Score:
32.41%
Best Match:
CHEMBL284237