LTJv1 #74 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: Oxycodone
5HT1B_HUMAN

Docking Scores:
-9.02 -9.36 -8.14
Similarity Score:
59.87%
Best Match:
CHEMBL29951

L: Morphine
5HT1B_HUMAN

Docking Scores:
-8.33 -9.08 -8.37
Similarity Score:
52.63%
Best Match:
CHEMBL29951

L: Methadone
5HT1B_HUMAN

Docking Scores:
-7.52 -7.61 -8.09
Similarity Score:
42.67%
Best Match:
CHEMBL146942

L: Pethidine
5HT1B_HUMAN

Docking Scores:
-7.07 -6.78 -7.40
Similarity Score:
46.09%
Best Match:
CHEMBL79693

L: Fentanyl
5HT1B_HUMAN

Docking Scores:
-8.36 -8.48 -9.08
Similarity Score:
60.00%
Best Match:
CHEMBL361061

L: Oxycodone
5HT2A_HUMAN

Docking Scores:
-8.57 -7.38
Similarity Score:
60.90%
Best Match:
CHEMBL3695433

L: Morphine
5HT2A_HUMAN

Docking Scores:
-8.75 -7.83
Similarity Score:
51.96%
Best Match:
CHEMBL3695438

L: Methadone
5HT2A_HUMAN

Docking Scores:
-7.98 -8.35
Similarity Score:
69.09%
Best Match:
CHEMBL594138

L: Pethidine
5HT2A_HUMAN

Docking Scores:
-8.07 -7.28
Similarity Score:
54.74%
Best Match:
CHEMBL1277770

L: Fentanyl
5HT2A_HUMAN

Docking Scores:
-9.08 -8.90
Similarity Score:
57.69%
Best Match:
CHEMBL352194

L: Oxycodone
5HT2B_HUMAN

Docking Scores:
-8.44 -8.51 -8.60
Similarity Score:
58.33%
Best Match:
CHEMBL445106

L: Morphine
5HT2B_HUMAN

Docking Scores:
-8.36 -8.86 -8.85
Similarity Score:
51.06%
Best Match:
CHEMBL445106

L: Methadone
5HT2B_HUMAN

Docking Scores:
-7.37 -7.82 -7.58
Similarity Score:
62.12%
Best Match:
CHEMBL21731

L: Pethidine
5HT2B_HUMAN

Docking Scores:
-6.53 -6.71 -7.29
Similarity Score:
62.92%
Best Match:
CHEMBL422931

L: Fentanyl
5HT2B_HUMAN

Docking Scores:
-8.81 -9.10 -9.38
Similarity Score:
56.67%
Best Match:
CHEMBL3919861

L: Oxycodone
5HT2C_HUMAN

Docking Scores:
-7.85 -9.67
Similarity Score:
58.33%
Best Match:
CHEMBL445106

L: Morphine
5HT2C_HUMAN

Docking Scores:
-8.46 -8.95
Similarity Score:
51.06%
Best Match:
CHEMBL445106

L: Methadone
5HT2C_HUMAN

Docking Scores:
-7.96 -8.56
Similarity Score:
66.07%
Best Match:
CHEMBL492700

L: Pethidine
5HT2C_HUMAN

Docking Scores:
-6.99 -8.02
Similarity Score:
64.37%
Best Match:
CHEMBL517712

L: Fentanyl
5HT2C_HUMAN

Docking Scores:
-8.49 -9.12
Similarity Score:
57.69%
Best Match:
CHEMBL352194