LTJv1 #74 Output Download CSV

View All
 
  The docking scores are in the AutoDock Vina metric.
L: Oxycodone
DRD4_HUMAN

Docking Scores:
-8.53 -8.57
Similarity Score:
52.57%
Best Match:
CHEMBL132261

L: Morphine
DRD4_HUMAN

Docking Scores:
-7.93 -8.18
Similarity Score:
47.67%
Best Match:
CHEMBL132261

L: Methadone
DRD4_HUMAN

Docking Scores:
-6.99 -7.21
Similarity Score:
63.24%
Best Match:
CHEMBL1242950

L: Pethidine
DRD4_HUMAN

Docking Scores:
-6.84 -6.88
Similarity Score:
57.14%
Best Match:
CHEMBL1258270

L: Fentanyl
DRD4_HUMAN

Docking Scores:
-8.89 -8.94
Similarity Score:
70.79%
Best Match:
CHEMBL4074104

L: Oxycodone
EDN1_HUMAN

Docking Scores:
-7.38
Similarity Score:
N/A
Best Match:
N/A

L: Morphine
EDN1_HUMAN

Docking Scores:
-7.23
Similarity Score:
N/A
Best Match:
N/A

L: Methadone
EDN1_HUMAN

Docking Scores:
-6.46
Similarity Score:
N/A
Best Match:
N/A

L: Pethidine
EDN1_HUMAN

Docking Scores:
-6.29
Similarity Score:
N/A
Best Match:
N/A

L: Fentanyl
EDN1_HUMAN

Docking Scores:
-7.64
Similarity Score:
N/A
Best Match:
N/A

L: Oxycodone
ESR1_HUMAN

Docking Scores:
-7.92 -8.16 -8.16
Similarity Score:
52.33%
Best Match:
CHEMBL33890

L: Morphine
ESR1_HUMAN

Docking Scores:
-8.83 -8.68 -8.57
Similarity Score:
44.56%
Best Match:
CHEMBL178559

L: Methadone
ESR1_HUMAN

Docking Scores:
-8.32 -7.45 -8.51
Similarity Score:
48.39%
Best Match:
CHEMBL2403361

L: Pethidine
ESR1_HUMAN

Docking Scores:
-7.23 -7.39 -7.44
Similarity Score:
53.16%
Best Match:
CHEMBL335412

L: Fentanyl
ESR1_HUMAN

Docking Scores:
-8.30 -8.48 -8.48
Similarity Score:
50.89%
Best Match:
CHEMBL3360843

L: Oxycodone
FABP5_HUMAN

Docking Scores:
-8.45 -6.12 -6.57
Similarity Score:
33.33%
Best Match:
CHEMBL212860

L: Morphine
FABP5_HUMAN

Docking Scores:
-8.69 -7.14 -6.40
Similarity Score:
30.54%
Best Match:
CHEMBL437489

L: Methadone
FABP5_HUMAN

Docking Scores:
-7.59 -5.14 -4.93
Similarity Score:
21.71%
Best Match:
CHEMBL3941588

L: Pethidine
FABP5_HUMAN

Docking Scores:
-6.68 -4.79 -4.65
Similarity Score:
29.41%
Best Match:
CHEMBL212860

L: Fentanyl
FABP5_HUMAN

Docking Scores:
-7.92 -6.05 -6.03
Similarity Score:
30.07%
Best Match:
CHEMBL3941588