LTJ #73 Output Download CSV

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  The docking scores are in the AutoDock Vina metric.
L: Dihydrocodeine
CXCR1_HUMAN

Docking Scores:
-8.22
Similarity Score:
28.95%
Best Match:
CHEMBL490688

L: Acetylsalicylic acid
CXCR1_HUMAN

Docking Scores:
-6.85
Similarity Score:
23.78%
Best Match:
CHEMBL464302

L: Hydromorphone
CXCR1_HUMAN

Docking Scores:
-9.51
Similarity Score:
28.76%
Best Match:
CHEMBL490688

L: Ibuprofen
CXCR1_HUMAN

Docking Scores:
-7.43
Similarity Score:
44.62%
Best Match:
CHEMBL191413

L: Codeine
CXCR1_HUMAN

Docking Scores:
-9.09
Similarity Score:
28.57%
Best Match:
CHEMBL490688

L: Dihydrocodeine
CXCR4_HUMAN

Docking Scores:
-7.93 -6.79 -8.09
Similarity Score:
33.33%
Best Match:
CHEMBL1644072

L: Acetylsalicylic acid
CXCR4_HUMAN

Docking Scores:
-6.56 -5.81 -5.82
Similarity Score:
30.00%
Best Match:
CHEMBL126657

L: Hydromorphone
CXCR4_HUMAN

Docking Scores:
-8.30 -6.55 -8.20
Similarity Score:
36.63%
Best Match:
CHEMBL1949739

L: Ibuprofen
CXCR4_HUMAN

Docking Scores:
-8.11 -5.46 -6.38
Similarity Score:
25.00%
Best Match:
CHEMBL2180085

L: Codeine
CXCR4_HUMAN

Docking Scores:
-8.25 -6.63 -7.67
Similarity Score:
33.77%
Best Match:
CHEMBL2029611

L: Dihydrocodeine
DRD2_HUMAN

Docking Scores:
-7.54
Similarity Score:
72.39%
Best Match:
CHEMBL170976

L: Acetylsalicylic acid
DRD2_HUMAN

Docking Scores:
-5.97
Similarity Score:
40.26%
Best Match:
CHEMBL128313

L: Hydromorphone
DRD2_HUMAN

Docking Scores:
-7.57
Similarity Score:
66.90%
Best Match:
CHEMBL170976

L: Ibuprofen
DRD2_HUMAN

Docking Scores:
-7.04
Similarity Score:
38.89%
Best Match:
CHEMBL1258270

L: Codeine
DRD2_HUMAN

Docking Scores:
-7.92
Similarity Score:
56.07%
Best Match:
CHEMBL170976

L: Dihydrocodeine
DRD3_HUMAN

Docking Scores:
-8.27
Similarity Score:
72.39%
Best Match:
CHEMBL170976

L: Acetylsalicylic acid
DRD3_HUMAN

Docking Scores:
-6.08
Similarity Score:
39.24%
Best Match:
CHEMBL334545

L: Hydromorphone
DRD3_HUMAN

Docking Scores:
-7.88
Similarity Score:
66.90%
Best Match:
CHEMBL170976

L: Ibuprofen
DRD3_HUMAN

Docking Scores:
-7.07
Similarity Score:
39.71%
Best Match:
CHEMBL1765637

L: Codeine
DRD3_HUMAN

Docking Scores:
-8.14
Similarity Score:
56.07%
Best Match:
CHEMBL170976