LTJv1 #74 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: Oxycodone
PGH2_HUMAN

Docking Scores:
-1.16 -4.32 -9.85
Similarity Score:
42.14%
Best Match:
CHEMBL276663

L: Morphine
PGH2_HUMAN

Docking Scores:
1.98 -2.82 -6.73
Similarity Score:
34.92%
Best Match:
CHEMBL13988

L: Methadone
PGH2_HUMAN

Docking Scores:
-0.21 -5.52 -5.91
Similarity Score:
47.76%
Best Match:
CHEMBL1945285

L: Pethidine
PGH2_HUMAN

Docking Scores:
-5.45 -6.13 -7.32
Similarity Score:
50.67%
Best Match:
CHEMBL1945285

L: Fentanyl
PGH2_HUMAN

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

L: Oxycodone
PPAP_HUMAN

Docking Scores:
-7.86
Similarity Score:
22.99%
Best Match:
CHEMBL507996

L: Morphine
PPAP_HUMAN

Docking Scores:
-8.29
Similarity Score:
20.39%
Best Match:
CHEMBL507996

L: Methadone
PPAP_HUMAN

Docking Scores:
-7.46
Similarity Score:
23.71%
Best Match:
CHEMBL501717

L: Pethidine
PPAP_HUMAN

Docking Scores:
-6.75
Similarity Score:
21.82%
Best Match:
CHEMBL501717

L: Fentanyl
PPAP_HUMAN

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

L: Oxycodone
PPARG_HUMAN

Docking Scores:
-7.26 -6.35 -7.52
Similarity Score:
47.93%
Best Match:
CHEMBL419756

L: Morphine
PPARG_HUMAN

Docking Scores:
-6.59 -6.06 -6.50
Similarity Score:
43.24%
Best Match:
CHEMBL1836977

L: Methadone
PPARG_HUMAN

Docking Scores:
-6.71 -6.96 -6.79
Similarity Score:
37.89%
Best Match:
CHEMBL3765141

L: Pethidine
PPARG_HUMAN

Docking Scores:
-5.88 -6.17 -5.93
Similarity Score:
47.06%
Best Match:
CHEMBL396109

L: Fentanyl
PPARG_HUMAN

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

L: Oxycodone
PRGR_HUMAN

Docking Scores:
-6.90 -6.73 -8.21
Similarity Score:
40.21%
Best Match:
CHEMBL1911657

L: Morphine
PRGR_HUMAN

Docking Scores:
-9.19 -9.49 -9.01
Similarity Score:
40.72%
Best Match:
CHEMBL51933

L: Methadone
PRGR_HUMAN

Docking Scores:
-6.75 -6.63 -8.73
Similarity Score:
47.37%
Best Match:
CHEMBL1165353

L: Pethidine
PRGR_HUMAN

Docking Scores:
-7.47 -7.25 -7.41
Similarity Score:
38.17%
Best Match:
CHEMBL197161

L: Fentanyl
PRGR_HUMAN

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