LTJ #73 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: Dihydrocodeine
5HT1B_HUMAN

Docking Scores:
-8.75 -8.74 -7.92
Similarity Score:
67.67%
Best Match:
CHEMBL29951

L: Acetylsalicylic acid
5HT1B_HUMAN

Docking Scores:
-5.93 -6.16 -6.49
Similarity Score:
43.48%
Best Match:
CHEMBL2112766

L: Hydromorphone
5HT1B_HUMAN

Docking Scores:
-8.66 -8.80 -7.56
Similarity Score:
64.75%
Best Match:
CHEMBL29951

L: Ibuprofen
5HT1B_HUMAN

Docking Scores:
-6.95 -7.25 -7.17
Similarity Score:
38.89%
Best Match:
CHEMBL73281

L: Codeine
5HT1B_HUMAN

Docking Scores:
-8.95 -8.50 -8.48
Similarity Score:
52.33%
Best Match:
CHEMBL29951

L: Dihydrocodeine
5HT2A_HUMAN

Docking Scores:
-8.80 -7.77
Similarity Score:
64.00%
Best Match:
CHEMBL445106

L: Acetylsalicylic acid
5HT2A_HUMAN

Docking Scores:
-6.45 -6.45
Similarity Score:
43.42%
Best Match:
CHEMBL272942

L: Hydromorphone
5HT2A_HUMAN

Docking Scores:
-8.78 -7.87
Similarity Score:
64.58%
Best Match:
CHEMBL3695433

L: Ibuprofen
5HT2A_HUMAN

Docking Scores:
-7.38 -7.27
Similarity Score:
50.00%
Best Match:
CHEMBL104088

L: Codeine
5HT2A_HUMAN

Docking Scores:
-9.04 -7.57
Similarity Score:
51.67%
Best Match:
CHEMBL3695438

L: Dihydrocodeine
5HT2B_HUMAN

Docking Scores:
-8.56 -9.10 -8.53
Similarity Score:
64.00%
Best Match:
CHEMBL445106

L: Acetylsalicylic acid
5HT2B_HUMAN

Docking Scores:
-6.36 -6.53 -6.65
Similarity Score:
44.62%
Best Match:
CHEMBL558

L: Hydromorphone
5HT2B_HUMAN

Docking Scores:
-8.83 -8.62 -8.65
Similarity Score:
62.58%
Best Match:
CHEMBL445106

L: Ibuprofen
5HT2B_HUMAN

Docking Scores:
-7.22 -8.14 -7.29
Similarity Score:
52.00%
Best Match:
CHEMBL475643

L: Codeine
5HT2B_HUMAN

Docking Scores:
-8.37 -8.84 -8.69
Similarity Score:
50.79%
Best Match:
CHEMBL445106

L: Dihydrocodeine
5HT2C_HUMAN

Docking Scores:
-8.79 -8.31
Similarity Score:
64.00%
Best Match:
CHEMBL445106

L: Acetylsalicylic acid
5HT2C_HUMAN

Docking Scores:
-6.40 -6.78
Similarity Score:
43.42%
Best Match:
CHEMBL272942

L: Hydromorphone
5HT2C_HUMAN

Docking Scores:
-8.21 -8.59
Similarity Score:
62.58%
Best Match:
CHEMBL445106

L: Ibuprofen
5HT2C_HUMAN

Docking Scores:
-8.00 -8.13
Similarity Score:
52.00%
Best Match:
CHEMBL475643

L: Codeine
5HT2C_HUMAN

Docking Scores:
-8.42 -9.08
Similarity Score:
50.79%
Best Match:
CHEMBL445106