anti-pain drug nv2 #226 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: Sulfasalazine
PGH2_HUMAN

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

L: Aceclofenac
PGH2_HUMAN

Docking Scores:
-7.46 -7.86 -8.70
Similarity Score:
80.46%
Best Match:
CHEMBL139

L: Alclofenac
PGH2_HUMAN

Docking Scores:
-6.35 -6.38 -7.09
Similarity Score:
59.70%
Best Match:
CHEMBL12952

L: Curcumin
PGH2_HUMAN

Docking Scores:
-6.59 -8.25 -7.95
Similarity Score:
60.24%
Best Match:
CHEMBL456619

L: Fentanyl
PGH2_HUMAN

Docking Scores:
-4.93 -5.22 -6.33
Similarity Score:
44.63%
Best Match:
CHEMBL49775

L: Sulfasalazine
PPAP_HUMAN

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

L: Aceclofenac
PPAP_HUMAN

Docking Scores:
-7.86
Similarity Score:
15.17%
Best Match:
CHEMBL507996

L: Alclofenac
PPAP_HUMAN

Docking Scores:
-6.34
Similarity Score:
30.36%
Best Match:
CHEMBL507996

L: Curcumin
PPAP_HUMAN

Docking Scores:
-8.28
Similarity Score:
23.53%
Best Match:
CHEMBL507996

L: Fentanyl
PPAP_HUMAN

Docking Scores:
-8.05
Similarity Score:
24.07%
Best Match:
CHEMBL501717

L: Sulfasalazine
PPARG_HUMAN

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

L: Aceclofenac
PPARG_HUMAN

Docking Scores:
-8.15 -7.78 -7.61
Similarity Score:
45.45%
Best Match:
CHEMBL167963

L: Alclofenac
PPARG_HUMAN

Docking Scores:
-6.28 -6.30 -6.37
Similarity Score:
59.52%
Best Match:
CHEMBL205665

L: Curcumin
PPARG_HUMAN

Docking Scores:
-8.91 -9.56 -9.27
Similarity Score:
60.19%
Best Match:
CHEMBL237225

L: Fentanyl
PPARG_HUMAN

Docking Scores:
-7.69 -9.34 -7.47
Similarity Score:
47.11%
Best Match:
CHEMBL340011

L: Sulfasalazine
PRGR_HUMAN

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

L: Aceclofenac
PRGR_HUMAN

Docking Scores:
-8.15 -8.64 -8.30
Similarity Score:
41.94%
Best Match:
CHEMBL117612

L: Alclofenac
PRGR_HUMAN

Docking Scores:
-6.46 -6.69 -6.49
Similarity Score:
36.97%
Best Match:
CHEMBL235063

L: Curcumin
PRGR_HUMAN

Docking Scores:
-7.06 -7.82 -7.75
Similarity Score:
54.64%
Best Match:
CHEMBL49978

L: Fentanyl
PRGR_HUMAN

Docking Scores:
-8.55 -7.85 -9.53
Similarity Score:
48.00%
Best Match:
CHEMBL332502