anti-pain drug v2 #221 Output Download CSV

View All
Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: Aspirin
PTGES_HUMAN

Docking Scores:
-5.88
Similarity Score:
42.72%
Best Match:
CHEMBL3134416

L: Mesalazine
PTGES_HUMAN

Docking Scores:
-5.89
Similarity Score:
33.93%
Best Match:
CHEMBL484092

L: Sulfasalazine
PTGES_HUMAN

Docking Scores:
-9.14
Similarity Score:
43.37%
Best Match:
CHEMBL3092270

L: Methotrimeprazine
PTGES_HUMAN

Docking Scores:
-5.29
Similarity Score:
31.86%
Best Match:
CHEMBL3919693

L: Ketamine
PTGES_HUMAN

Docking Scores:
-5.34
Similarity Score:
41.09%
Best Match:
CHEMBL4102262

L: Aspirin
SC6A4_HUMAN

Docking Scores:
-6.16 -6.18 -6.35
Similarity Score:
41.03%
Best Match:
CHEMBL272002

L: Mesalazine
SC6A4_HUMAN

Docking Scores:
-6.07 -5.99 -5.97
Similarity Score:
35.06%
Best Match:
CHEMBL204199

L: Sulfasalazine
SC6A4_HUMAN

Docking Scores:
-9.64 -9.22 -9.97
Similarity Score:
35.15%
Best Match:
CHEMBL1836102

L: Methotrimeprazine
SC6A4_HUMAN

Docking Scores:
-7.55 -7.73 -7.29
Similarity Score:
40.62%
Best Match:
CHEMBL1172744

L: Ketamine
SC6A4_HUMAN

Docking Scores:
-7.37 -7.42 -7.56
Similarity Score:
63.10%
Best Match:
CHEMBL2407327

L: Aspirin
SCN9A_HUMAN

Docking Scores:
-7.07
Similarity Score:
34.15%
Best Match:
CHEMBL3945925

L: Mesalazine
SCN9A_HUMAN

Docking Scores:
-6.02
Similarity Score:
38.75%
Best Match:
CHEMBL698

L: Sulfasalazine
SCN9A_HUMAN

Docking Scores:
-9.11
Similarity Score:
48.35%
Best Match:
CHEMBL2324393

L: Methotrimeprazine
SCN9A_HUMAN

Docking Scores:
-5.30
Similarity Score:
28.35%
Best Match:
CHEMBL3632696

L: Ketamine
SCN9A_HUMAN

Docking Scores:
-7.87
Similarity Score:
58.59%
Best Match:
CHEMBL206758

L: Aspirin
TLR4_HUMAN

Docking Scores:
-5.66 -6.08 -6.26
Similarity Score:
29.70%
Best Match:
CHEMBL1223752

L: Mesalazine
TLR4_HUMAN

Docking Scores:
-5.50 -5.20 -5.92
Similarity Score:
28.10%
Best Match:
CHEMBL4071705

L: Sulfasalazine
TLR4_HUMAN

Docking Scores:
-8.11 -8.69 -8.76
Similarity Score:
30.86%
Best Match:
CHEMBL3823499

L: Methotrimeprazine
TLR4_HUMAN

Docking Scores:
-6.60 -6.47 -6.80
Similarity Score:
26.74%
Best Match:
CHEMBL2386454

L: Ketamine
TLR4_HUMAN

Docking Scores:
-6.76 -6.47 -6.88
Similarity Score:
26.76%
Best Match:
CHEMBL2419455