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
CNR2_HUMAN

Docking Scores:
-6.25 -6.47
Similarity Score:
47.83%
Best Match:
CHEMBL243334

L: Mesalazine
CNR2_HUMAN

Docking Scores:
-5.68 -5.62
Similarity Score:
38.81%
Best Match:
CHEMBL243334

L: Sulfasalazine
CNR2_HUMAN

Docking Scores:
-9.87 -10.07
Similarity Score:
39.57%
Best Match:
CHEMBL245876

L: Methotrimeprazine
CNR2_HUMAN

Docking Scores:
-8.20 -8.44
Similarity Score:
39.29%
Best Match:
CHEMBL1800731

L: Ketamine
CNR2_HUMAN

Docking Scores:
-7.95 -7.64
Similarity Score:
56.44%
Best Match:
CHEMBL1095690

L: Aspirin
COLI_HUMAN

Docking Scores:
-6.37 -6.26 -5.32
Similarity Score:
N/A
Best Match:
N/A

L: Mesalazine
COLI_HUMAN

Docking Scores:
-5.77 -5.83 -5.37
Similarity Score:
N/A
Best Match:
N/A

L: Sulfasalazine
COLI_HUMAN

Docking Scores:
-9.81 -9.84 -8.93
Similarity Score:
N/A
Best Match:
N/A

L: Methotrimeprazine
COLI_HUMAN

Docking Scores:
-7.12 -6.91 -6.51
Similarity Score:
N/A
Best Match:
N/A

L: Ketamine
COLI_HUMAN

Docking Scores:
-6.66 -6.75 -5.75
Similarity Score:
N/A
Best Match:
N/A

L: Aspirin
COMT_HUMAN

Docking Scores:
-5.38 -5.25 -5.76
Similarity Score:
25.62%
Best Match:
CHEMBL3980370

L: Mesalazine
COMT_HUMAN

Docking Scores:
-5.32 -4.99 -5.81
Similarity Score:
37.36%
Best Match:
CHEMBL1324

L: Sulfasalazine
COMT_HUMAN

Docking Scores:
-6.43 -6.32 -6.82
Similarity Score:
29.78%
Best Match:
CHEMBL3798524

L: Methotrimeprazine
COMT_HUMAN

Docking Scores:
-5.09 -5.17 -4.98
Similarity Score:
26.48%
Best Match:
CHEMBL3819488

L: Ketamine
COMT_HUMAN

Docking Scores:
-4.80 -5.61 -4.69
Similarity Score:
27.94%
Best Match:
CHEMBL3425731

L: Aspirin
CRP_HUMAN

Docking Scores:
-4.90 -5.22
Similarity Score:
N/A
Best Match:
N/A

L: Mesalazine
CRP_HUMAN

Docking Scores:
-4.73 -4.91
Similarity Score:
N/A
Best Match:
N/A

L: Sulfasalazine
CRP_HUMAN

Docking Scores:
-6.85 -7.11
Similarity Score:
N/A
Best Match:
N/A

L: Methotrimeprazine
CRP_HUMAN

Docking Scores:
-4.92 -4.83
Similarity Score:
N/A
Best Match:
N/A

L: Ketamine
CRP_HUMAN

Docking Scores:
-4.88 -4.85
Similarity Score:
N/A
Best Match:
N/A