LTJ #73 Output Download CSV

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  The docking scores are in the AutoDock Vina metric.
L: Dihydrocodeine
DRD4_HUMAN

Docking Scores:
-8.62 -8.26
Similarity Score:
60.00%
Best Match:
CHEMBL27441

L: Acetylsalicylic acid
DRD4_HUMAN

Docking Scores:
-7.02 -6.67
Similarity Score:
42.86%
Best Match:
CHEMBL59326

L: Hydromorphone
DRD4_HUMAN

Docking Scores:
-8.34 -8.42
Similarity Score:
57.35%
Best Match:
CHEMBL27441

L: Ibuprofen
DRD4_HUMAN

Docking Scores:
-7.20 -7.21
Similarity Score:
38.89%
Best Match:
CHEMBL1258270

L: Codeine
DRD4_HUMAN

Docking Scores:
-8.87 -9.13
Similarity Score:
47.42%
Best Match:
CHEMBL132261

L: Dihydrocodeine
EDN1_HUMAN

Docking Scores:
-7.90
Similarity Score:
N/A
Best Match:
N/A

L: Acetylsalicylic acid
EDN1_HUMAN

Docking Scores:
-6.27
Similarity Score:
N/A
Best Match:
N/A

L: Hydromorphone
EDN1_HUMAN

Docking Scores:
-7.93
Similarity Score:
N/A
Best Match:
N/A

L: Ibuprofen
EDN1_HUMAN

Docking Scores:
-7.29
Similarity Score:
N/A
Best Match:
N/A

L: Codeine
EDN1_HUMAN

Docking Scores:
-7.34
Similarity Score:
N/A
Best Match:
N/A

L: Dihydrocodeine
ESR1_HUMAN

Docking Scores:
-8.66 -7.75 -8.18
Similarity Score:
54.49%
Best Match:
CHEMBL178559

L: Acetylsalicylic acid
ESR1_HUMAN

Docking Scores:
-6.08 -5.90 -5.70
Similarity Score:
63.08%
Best Match:
CHEMBL1082743

L: Hydromorphone
ESR1_HUMAN

Docking Scores:
-9.19 -8.98 -8.99
Similarity Score:
50.54%
Best Match:
CHEMBL33890

L: Ibuprofen
ESR1_HUMAN

Docking Scores:
-7.15 -6.98 -7.31
Similarity Score:
61.82%
Best Match:
CHEMBL335412

L: Codeine
ESR1_HUMAN

Docking Scores:
-9.57 -9.22 -9.27
Similarity Score:
45.08%
Best Match:
CHEMBL178559

L: Dihydrocodeine
FABP5_HUMAN

Docking Scores:
-8.99 -6.58 -6.01
Similarity Score:
33.33%
Best Match:
CHEMBL212860

L: Acetylsalicylic acid
FABP5_HUMAN

Docking Scores:
-6.12 -4.52 -4.52
Similarity Score:
53.49%
Best Match:
CHEMBL247298

L: Hydromorphone
FABP5_HUMAN

Docking Scores:
-8.70 -6.09 -6.37
Similarity Score:
34.55%
Best Match:
CHEMBL212860

L: Ibuprofen
FABP5_HUMAN

Docking Scores:
-6.80 -4.79 -5.02
Similarity Score:
35.56%
Best Match:
CHEMBL212860

L: Codeine
FABP5_HUMAN

Docking Scores:
-8.34 -6.35 -6.50
Similarity Score:
30.39%
Best Match:
CHEMBL437489