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
ADRB2_HUMAN

Docking Scores:
-6.71 -6.84 -6.72
Similarity Score:
46.59%
Best Match:
CHEMBL1704973

L: Mesalazine
ADRB2_HUMAN

Docking Scores:
-6.22 -6.71 -6.38
Similarity Score:
42.22%
Best Match:
CHEMBL3290996

L: Sulfasalazine
ADRB2_HUMAN

Docking Scores:
-10.02 -10.76 -10.61
Similarity Score:
53.85%
Best Match:
CHEMBL1557985

L: Methotrimeprazine
ADRB2_HUMAN

Docking Scores:
-6.35 -6.29 -7.54
Similarity Score:
31.34%
Best Match:
CHEMBL1083363

L: Ketamine
ADRB2_HUMAN

Docking Scores:
-6.86 -7.85 -6.97
Similarity Score:
48.48%
Best Match:
CHEMBL1524289

L: Aspirin
AGTR2_HUMAN

Docking Scores:
-5.94 -6.11 -6.00
Similarity Score:
26.25%
Best Match:
CHEMBL158557

L: Mesalazine
AGTR2_HUMAN

Docking Scores:
-5.22 -5.20 -5.37
Similarity Score:
24.32%
Best Match:
CHEMBL376286

L: Sulfasalazine
AGTR2_HUMAN

Docking Scores:
-9.13 -9.15 -8.74
Similarity Score:
30.21%
Best Match:
CHEMBL346728

L: Methotrimeprazine
AGTR2_HUMAN

Docking Scores:
-6.93 -6.79 -6.70
Similarity Score:
25.60%
Best Match:
CHEMBL190286

L: Ketamine
AGTR2_HUMAN

Docking Scores:
-6.92 -6.75 -6.77
Similarity Score:
38.02%
Best Match:
CHEMBL128416

L: Aspirin
ALDR_HUMAN

Docking Scores:
-7.22 -7.08 -7.23
Similarity Score:
43.52%
Best Match:
CHEMBL110030

L: Mesalazine
ALDR_HUMAN

Docking Scores:
-6.86 -5.85 -6.90
Similarity Score:
34.18%
Best Match:
CHEMBL51483

L: Sulfasalazine
ALDR_HUMAN

Docking Scores:
-9.76 -9.69 -11.07
Similarity Score:
33.54%
Best Match:
CHEMBL282245

L: Methotrimeprazine
ALDR_HUMAN

Docking Scores:
-7.41 -6.62 -7.48
Similarity Score:
20.54%
Best Match:
CHEMBL139666

L: Ketamine
ALDR_HUMAN

Docking Scores:
-7.08 -7.10 -7.47
Similarity Score:
38.89%
Best Match:
CHEMBL278584

L: Aspirin
AMPN_HUMAN

Docking Scores:
-5.66 -6.67 -6.27
Similarity Score:
25.00%
Best Match:
CHEMBL3805817

L: Mesalazine
AMPN_HUMAN

Docking Scores:
-5.80 -6.09 -5.82
Similarity Score:
20.65%
Best Match:
CHEMBL3805817

L: Sulfasalazine
AMPN_HUMAN

Docking Scores:
-9.23 -9.15 -8.93
Similarity Score:
22.65%
Best Match:
CHEMBL1077591

L: Methotrimeprazine
AMPN_HUMAN

Docking Scores:
-6.92 -7.35 -6.97
Similarity Score:
34.62%
Best Match:
CHEMBL3298945

L: Ketamine
AMPN_HUMAN

Docking Scores:
-6.77 -7.43 -7.28
Similarity Score:
45.79%
Best Match:
CHEMBL2332518