LTJv1 #74 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: Oxycodone
ADRB2_HUMAN

Docking Scores:
-8.33 -8.50 -8.83
Similarity Score:
49.08%
Best Match:
CHEMBL1773265

L: Morphine
ADRB2_HUMAN

Docking Scores:
-8.82 -7.96 -9.08
Similarity Score:
43.26%
Best Match:
CHEMBL513389

L: Methadone
ADRB2_HUMAN

Docking Scores:
-6.74 -7.80 -8.08
Similarity Score:
55.13%
Best Match:
CHEMBL1332942

L: Pethidine
ADRB2_HUMAN

Docking Scores:
-6.84 -7.74 -7.67
Similarity Score:
50.91%
Best Match:
CHEMBL1346

L: Fentanyl
ADRB2_HUMAN

Docking Scores:
-7.73 -8.30 -9.28
Similarity Score:
54.72%
Best Match:
CHEMBL1306990

L: Oxycodone
AGTR2_HUMAN

Docking Scores:
-8.32 -8.29 -8.18
Similarity Score:
51.50%
Best Match:
CHEMBL154057

L: Morphine
AGTR2_HUMAN

Docking Scores:
-8.07 -7.98 -7.83
Similarity Score:
42.67%
Best Match:
CHEMBL154057

L: Methadone
AGTR2_HUMAN

Docking Scores:
-8.28 -8.10 -8.21
Similarity Score:
35.14%
Best Match:
CHEMBL128416

L: Pethidine
AGTR2_HUMAN

Docking Scores:
-6.94 -7.23 -6.66
Similarity Score:
39.53%
Best Match:
CHEMBL3350599

L: Fentanyl
AGTR2_HUMAN

Docking Scores:
-9.61 -9.85 -9.62
Similarity Score:
36.50%
Best Match:
CHEMBL268815

L: Oxycodone
ALDR_HUMAN

Docking Scores:
-9.02 -8.24 -7.54
Similarity Score:
44.77%
Best Match:
CHEMBL71562

L: Morphine
ALDR_HUMAN

Docking Scores:
-7.72 -6.73 -7.11
Similarity Score:
32.54%
Best Match:
CHEMBL311679

L: Methadone
ALDR_HUMAN

Docking Scores:
-7.71 -6.98 -7.38
Similarity Score:
32.32%
Best Match:
CHEMBL538917

L: Pethidine
ALDR_HUMAN

Docking Scores:
-7.36 -7.73 -7.27
Similarity Score:
39.29%
Best Match:
CHEMBL77283

L: Fentanyl
ALDR_HUMAN

Docking Scores:
-9.41 -7.68 -9.72
Similarity Score:
39.07%
Best Match:
CHEMBL281620

L: Oxycodone
AMPN_HUMAN

Docking Scores:
-8.11 -8.58 -8.55
Similarity Score:
40.10%
Best Match:
CHEMBL1077584

L: Morphine
AMPN_HUMAN

Docking Scores:
-8.15 -8.35 -7.95
Similarity Score:
33.78%
Best Match:
CHEMBL1782887

L: Methadone
AMPN_HUMAN

Docking Scores:
-7.00 -7.38 -7.24
Similarity Score:
52.78%
Best Match:
CHEMBL1668623

L: Pethidine
AMPN_HUMAN

Docking Scores:
-6.61 -7.00 -6.91
Similarity Score:
40.40%
Best Match:
CHEMBL1821978

L: Fentanyl
AMPN_HUMAN

Docking Scores:
-8.02 -8.37 -7.69
Similarity Score:
41.38%
Best Match:
CHEMBL3764432