anti-pain drug v2 #221 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: Aspirin
PGH2_HUMAN

Docking Scores:
-6.19 -6.20 -6.55
Similarity Score:
72.60%
Best Match:
CHEMBL1958348

L: Mesalazine
PGH2_HUMAN

Docking Scores:
-6.31 -6.28 -5.98
Similarity Score:
49.25%
Best Match:
CHEMBL686

L: Sulfasalazine
PGH2_HUMAN

Docking Scores:
-4.37 -7.37 -8.72
Similarity Score:
43.15%
Best Match:
CHEMBL405744

L: Methotrimeprazine
PGH2_HUMAN

Docking Scores:
-2.49 -4.75 -5.63
Similarity Score:
23.53%
Best Match:
CHEMBL432260

L: Ketamine
PGH2_HUMAN

Docking Scores:
-5.81 -5.99 -7.45
Similarity Score:
40.48%
Best Match:
CHEMBL441414

L: Aspirin
PPAP_HUMAN

Docking Scores:
-6.47
Similarity Score:
22.02%
Best Match:
CHEMBL507996

L: Mesalazine
PPAP_HUMAN

Docking Scores:
-6.06
Similarity Score:
18.10%
Best Match:
CHEMBL507996

L: Sulfasalazine
PPAP_HUMAN

Docking Scores:
-9.14
Similarity Score:
16.86%
Best Match:
CHEMBL507996

L: Methotrimeprazine
PPAP_HUMAN

Docking Scores:
-6.45
Similarity Score:
11.76%
Best Match:
CHEMBL507996

L: Ketamine
PPAP_HUMAN

Docking Scores:
-6.83
Similarity Score:
28.04%
Best Match:
CHEMBL501717

L: Aspirin
PPARG_HUMAN

Docking Scores:
-5.58 -6.46 -5.74
Similarity Score:
46.99%
Best Match:
CHEMBL207570

L: Mesalazine
PPARG_HUMAN

Docking Scores:
-5.41 -5.51 -5.56
Similarity Score:
48.53%
Best Match:
CHEMBL2057864

L: Sulfasalazine
PPARG_HUMAN

Docking Scores:
-8.86 -9.20 -8.38
Similarity Score:
50.28%
Best Match:
CHEMBL2331784

L: Methotrimeprazine
PPARG_HUMAN

Docking Scores:
-6.62 -6.61 -6.88
Similarity Score:
29.70%
Best Match:
CHEMBL377213

L: Ketamine
PPARG_HUMAN

Docking Scores:
-6.50 -6.39 -6.32
Similarity Score:
42.31%
Best Match:
CHEMBL3765141

L: Aspirin
PRGR_HUMAN

Docking Scores:
-6.28 -6.24 -6.04
Similarity Score:
32.46%
Best Match:
CHEMBL50849

L: Mesalazine
PRGR_HUMAN

Docking Scores:
-6.11 -5.99 -5.87
Similarity Score:
34.67%
Best Match:
CHEMBL350283

L: Sulfasalazine
PRGR_HUMAN

Docking Scores:
-5.93 -4.66 -7.63
Similarity Score:
43.54%
Best Match:
CHEMBL3961285

L: Methotrimeprazine
PRGR_HUMAN

Docking Scores:
-6.23 -6.15 -7.40
Similarity Score:
25.41%
Best Match:
CHEMBL3765823

L: Ketamine
PRGR_HUMAN

Docking Scores:
-7.62 -7.82 -7.32
Similarity Score:
45.61%
Best Match:
CHEMBL1163480