LTJv1 #74 Output Download CSV

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Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: Oxycodone
PDE4B_HUMAN

Docking Scores:
-8.23 -8.81 -9.09
Similarity Score:
57.50%
Best Match:
CHEMBL144499

L: Morphine
PDE4B_HUMAN

Docking Scores:
-7.99 -7.30 -8.08
Similarity Score:
45.95%
Best Match:
CHEMBL144499

L: Methadone
PDE4B_HUMAN

Docking Scores:
-7.55 -7.66 -7.72
Similarity Score:
43.12%
Best Match:
CHEMBL144499

L: Pethidine
PDE4B_HUMAN

Docking Scores:
-7.28 -7.73 -7.88
Similarity Score:
41.94%
Best Match:
CHEMBL61727

L: Fentanyl
PDE4B_HUMAN

Docking Scores:
-7.99 -8.12 -8.66
Similarity Score:
39.84%
Best Match:
CHEMBL37386

L: Oxycodone
PDE5A_HUMAN

Docking Scores:
-7.78 -8.20 -8.63
Similarity Score:
36.13%
Best Match:
CHEMBL190423

L: Morphine
PDE5A_HUMAN

Docking Scores:
-7.86 -8.21 -8.32
Similarity Score:
31.75%
Best Match:
CHEMBL190423

L: Methadone
PDE5A_HUMAN

Docking Scores:
-6.65 -7.94 -6.80
Similarity Score:
29.13%
Best Match:
CHEMBL190423

L: Pethidine
PDE5A_HUMAN

Docking Scores:
-7.16 -7.86 -7.28
Similarity Score:
30.88%
Best Match:
CHEMBL190423

L: Fentanyl
PDE5A_HUMAN

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

L: Oxycodone
PERM_HUMAN

Docking Scores:
-8.33 -8.16 -8.10
Similarity Score:
37.64%
Best Match:
CHEMBL490

L: Morphine
PERM_HUMAN

Docking Scores:
-7.97 -8.16 -8.18
Similarity Score:
35.57%
Best Match:
CHEMBL490

L: Methadone
PERM_HUMAN

Docking Scores:
-7.44 -7.72 -7.69
Similarity Score:
42.11%
Best Match:
CHEMBL3892909

L: Pethidine
PERM_HUMAN

Docking Scores:
-6.94 -7.20 -6.62
Similarity Score:
41.86%
Best Match:
CHEMBL3892909

L: Fentanyl
PERM_HUMAN

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

L: Oxycodone
PGH1_SHEEP

Docking Scores:
-5.89 -7.94 -7.43
Similarity Score:
35.45%
Best Match:
CHEMBL24798

L: Morphine
PGH1_SHEEP

Docking Scores:
-4.37 -7.37 -7.34
Similarity Score:
34.85%
Best Match:
CHEMBL229957

L: Methadone
PGH1_SHEEP

Docking Scores:
-5.44 -6.68 -8.10
Similarity Score:
47.76%
Best Match:
CHEMBL1945285

L: Pethidine
PGH1_SHEEP

Docking Scores:
-6.16 -7.15 -7.09
Similarity Score:
50.67%
Best Match:
CHEMBL1945285

L: Fentanyl
PGH1_SHEEP

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