LTJ #73 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: Dihydrocodeine
HPGDS_HUMAN

Docking Scores:
-7.63 -6.63 -7.17
Similarity Score:
23.71%
Best Match:
CHEMBL3134496

L: Acetylsalicylic acid
HPGDS_HUMAN

Docking Scores:
-6.04 -6.12 -7.11
Similarity Score:
33.33%
Best Match:
CHEMBL2035654

L: Hydromorphone
HPGDS_HUMAN

Docking Scores:
-8.92 -6.80 -6.60
Similarity Score:
25.45%
Best Match:
CHEMBL3698265

L: Ibuprofen
HPGDS_HUMAN

Docking Scores:
-6.73 -6.80 -7.49
Similarity Score:
22.45%
Best Match:
CHEMBL3907283

L: Codeine
HPGDS_HUMAN

Docking Scores:
-7.91 -6.81 -6.39
Similarity Score:
23.62%
Best Match:
CHEMBL3698265

L: Dihydrocodeine
HRH1_HUMAN

Docking Scores:
-2.52
Similarity Score:
55.24%
Best Match:
CHEMBL476839

L: Acetylsalicylic acid
HRH1_HUMAN

Docking Scores:
-7.17
Similarity Score:
38.46%
Best Match:
CHEMBL2158833

L: Hydromorphone
HRH1_HUMAN

Docking Scores:
-7.18
Similarity Score:
53.02%
Best Match:
CHEMBL476839

L: Ibuprofen
HRH1_HUMAN

Docking Scores:
-8.05
Similarity Score:
54.55%
Best Match:
CHEMBL914

L: Codeine
HRH1_HUMAN

Docking Scores:
-7.46
Similarity Score:
45.00%
Best Match:
CHEMBL476839

L: Dihydrocodeine
HYES_HUMAN

Docking Scores:
-8.37 -8.28 -8.46
Similarity Score:
53.74%
Best Match:
CHEMBL1672128

L: Acetylsalicylic acid
HYES_HUMAN

Docking Scores:
-6.41 -6.70 -6.36
Similarity Score:
47.92%
Best Match:
CHEMBL244407

L: Hydromorphone
HYES_HUMAN

Docking Scores:
-9.32 -8.19 -8.55
Similarity Score:
60.00%
Best Match:
CHEMBL1672128

L: Ibuprofen
HYES_HUMAN

Docking Scores:
-7.03 -7.58 -7.41
Similarity Score:
38.71%
Best Match:
CHEMBL3763278

L: Codeine
HYES_HUMAN

Docking Scores:
-8.41 -8.37 -8.59
Similarity Score:
42.47%
Best Match:
CHEMBL1672128

L: Dihydrocodeine
IKKB_HUMAN

Docking Scores:
-7.50
Similarity Score:
35.37%
Best Match:
CHEMBL484012

L: Acetylsalicylic acid
IKKB_HUMAN

Docking Scores:
-6.20
Similarity Score:
32.98%
Best Match:
CHEMBL3318321

L: Hydromorphone
IKKB_HUMAN

Docking Scores:
-6.94
Similarity Score:
38.22%
Best Match:
CHEMBL184041

L: Ibuprofen
IKKB_HUMAN

Docking Scores:
-6.80
Similarity Score:
36.71%
Best Match:
CHEMBL3318321

L: Codeine
IKKB_HUMAN

Docking Scores:
-6.30
Similarity Score:
31.38%
Best Match:
CHEMBL1672879