Test3 #298 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: Acetaminophen
PDE5A_HUMAN

Docking Scores:
-5.66 -5.84 -5.81
Similarity Score:
28.57%
Best Match:
CHEMBL41236

L: Diclofenac
PDE5A_HUMAN

Docking Scores:
-7.21 -8.35 -7.97
Similarity Score:
28.36%
Best Match:
CHEMBL332898

L: Morphine
PDE5A_HUMAN

Docking Scores:
-8.81 -9.06 -8.68
Similarity Score:
31.75%
Best Match:
CHEMBL190423

L: Fentanyl
PDE5A_HUMAN

Docking Scores:
-8.25 -8.36 -8.02
Similarity Score:
31.82%
Best Match:
CHEMBL555171

L: Acetaminophen
PERM_HUMAN

Docking Scores:
-5.83 -6.24 -6.40
Similarity Score:
33.33%
Best Match:
CHEMBL251689

L: Diclofenac
PERM_HUMAN

Docking Scores:
-7.60 -7.78 -7.78
Similarity Score:
41.57%
Best Match:
CHEMBL686

L: Morphine
PERM_HUMAN

Docking Scores:
-9.13 -9.56 -9.07
Similarity Score:
35.57%
Best Match:
CHEMBL490

L: Fentanyl
PERM_HUMAN

Docking Scores:
-7.81 -8.46 -8.03
Similarity Score:
38.94%
Best Match:
CHEMBL2347029

L: Acetaminophen
PGH1_SHEEP

Docking Scores:
-6.34 -5.93 -7.17
Similarity Score:
42.86%
Best Match:
CHEMBL9020

L: Diclofenac
PGH1_SHEEP

Docking Scores:
-6.22 -8.31 -8.48
Similarity Score:
100.00%
Best Match:
CHEMBL139

L: Morphine
PGH1_SHEEP

Docking Scores:
-4.39 -7.17 -7.88
Similarity Score:
34.85%
Best Match:
CHEMBL229957

L: Fentanyl
PGH1_SHEEP

Docking Scores:
-9.40 -8.71 -8.01
Similarity Score:
40.83%
Best Match:
CHEMBL3775653

L: Acetaminophen
PGH2_HUMAN

Docking Scores:
-5.85 -6.12 -6.31
Similarity Score:
42.68%
Best Match:
CHEMBL291338

L: Diclofenac
PGH2_HUMAN

Docking Scores:
-7.37 -7.98 -8.14
Similarity Score:
100.00%
Best Match:
CHEMBL139

L: Morphine
PGH2_HUMAN

Docking Scores:
-2.19 -6.36 -7.16
Similarity Score:
34.92%
Best Match:
CHEMBL13988

L: Fentanyl
PGH2_HUMAN

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

L: Acetaminophen
PPAP_HUMAN

Docking Scores:
-5.49
Similarity Score:
17.00%
Best Match:
CHEMBL507996

L: Diclofenac
PPAP_HUMAN

Docking Scores:
-7.69
Similarity Score:
17.24%
Best Match:
CHEMBL501717

L: Morphine
PPAP_HUMAN

Docking Scores:
-8.17
Similarity Score:
20.39%
Best Match:
CHEMBL507996

L: Fentanyl
PPAP_HUMAN

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