anti-pain drug v2 #221 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: Aspirin
5HT1B_HUMAN

Docking Scores:
-5.93 -6.16 -6.49
Similarity Score:
43.48%
Best Match:
CHEMBL2112766

L: Mesalazine
5HT1B_HUMAN

Docking Scores:
-6.01 -6.05 -5.73
Similarity Score:
32.93%
Best Match:
CHEMBL110317

L: Sulfasalazine
5HT1B_HUMAN

Docking Scores:
-9.91 -10.09 -10.51
Similarity Score:
38.99%
Best Match:
CHEMBL97637

L: Methotrimeprazine
5HT1B_HUMAN

Docking Scores:
-7.40 -7.59 -7.37
Similarity Score:
29.03%
Best Match:
CHEMBL3126382

L: Ketamine
5HT1B_HUMAN

Docking Scores:
-7.43 -7.35 -7.88
Similarity Score:
40.91%
Best Match:
CHEMBL191460

L: Aspirin
5HT2A_HUMAN

Docking Scores:
-6.45 -6.45
Similarity Score:
43.42%
Best Match:
CHEMBL272942

L: Mesalazine
5HT2A_HUMAN

Docking Scores:
-5.66 -5.84
Similarity Score:
38.75%
Best Match:
CHEMBL698

L: Sulfasalazine
5HT2A_HUMAN

Docking Scores:
-10.32 -10.60
Similarity Score:
39.22%
Best Match:
CHEMBL395501

L: Methotrimeprazine
5HT2A_HUMAN

Docking Scores:
-7.68 -7.42
Similarity Score:
36.54%
Best Match:
CHEMBL1201203

L: Ketamine
5HT2A_HUMAN

Docking Scores:
-6.95 -7.44
Similarity Score:
52.63%
Best Match:
CHEMBL443128

L: Aspirin
5HT2B_HUMAN

Docking Scores:
-6.36 -6.53 -6.65
Similarity Score:
44.62%
Best Match:
CHEMBL558

L: Mesalazine
5HT2B_HUMAN

Docking Scores:
-6.53 -6.35 -6.49
Similarity Score:
32.99%
Best Match:
CHEMBL86

L: Sulfasalazine
5HT2B_HUMAN

Docking Scores:
-9.50 -9.80 -10.25
Similarity Score:
35.07%
Best Match:
CHEMBL88571

L: Methotrimeprazine
5HT2B_HUMAN

Docking Scores:
-7.27 -7.02 -7.85
Similarity Score:
36.54%
Best Match:
CHEMBL1201203

L: Ketamine
5HT2B_HUMAN

Docking Scores:
-7.04 -6.61 -6.86
Similarity Score:
58.89%
Best Match:
CHEMBL1909048

L: Aspirin
5HT2C_HUMAN

Docking Scores:
-6.40 -6.78
Similarity Score:
43.42%
Best Match:
CHEMBL272942

L: Mesalazine
5HT2C_HUMAN

Docking Scores:
-6.02 -5.68
Similarity Score:
32.53%
Best Match:
CHEMBL194588

L: Sulfasalazine
5HT2C_HUMAN

Docking Scores:
-9.56 -9.93
Similarity Score:
39.22%
Best Match:
CHEMBL395501

L: Methotrimeprazine
5HT2C_HUMAN

Docking Scores:
-7.07 -7.45
Similarity Score:
36.54%
Best Match:
CHEMBL1201203

L: Ketamine
5HT2C_HUMAN

Docking Scores:
-6.73 -8.32
Similarity Score:
56.84%
Best Match:
CHEMBL1092029