anti-pain drug v3 #222 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: Amantadine
5HT1B_HUMAN

Docking Scores:
-6.04 -6.27 -6.51
Similarity Score:
22.22%
Best Match:
CHEMBL146942

L: Alfentanil
5HT1B_HUMAN

Docking Scores:
-7.92 -8.19 -8.21
Similarity Score:
38.51%
Best Match:
CHEMBL148110

L: Pimecrolimus
5HT1B_HUMAN

Docking Scores:
-9.61 -7.18 10.39
Similarity Score:
31.96%
Best Match:
CHEMBL442

L: Levacetylmethadol
5HT1B_HUMAN

Docking Scores:
-7.46 -7.24 -8.02
Similarity Score:
42.37%
Best Match:
CHEMBL79693

L: Rofecoxib
5HT1B_HUMAN

Docking Scores:
-10.04 -9.37 -9.26
Similarity Score:
31.16%
Best Match:
CHEMBL188486

L: Amantadine
5HT2A_HUMAN

Docking Scores:
-5.91 -6.29
Similarity Score:
40.00%
Best Match:
CHEMBL334255

L: Alfentanil
5HT2A_HUMAN

Docking Scores:
-8.30 -7.10
Similarity Score:
43.15%
Best Match:
CHEMBL4066435

L: Pimecrolimus
5HT2A_HUMAN

Docking Scores:
0.63 20.42
Similarity Score:
45.83%
Best Match:
CHEMBL473781

L: Levacetylmethadol
5HT2A_HUMAN

Docking Scores:
-8.16 -7.04
Similarity Score:
56.41%
Best Match:
CHEMBL936

L: Rofecoxib
5HT2A_HUMAN

Docking Scores:
-9.28 -9.46
Similarity Score:
46.55%
Best Match:
CHEMBL1084976

L: Amantadine
5HT2B_HUMAN

Docking Scores:
-6.13 -5.40 -5.97
Similarity Score:
23.68%
Best Match:
CHEMBL452719

L: Alfentanil
5HT2B_HUMAN

Docking Scores:
-8.27 -7.80 -8.56
Similarity Score:
38.29%
Best Match:
CHEMBL1729

L: Pimecrolimus
5HT2B_HUMAN

Docking Scores:
-6.33 -3.18 4.07
Similarity Score:
35.95%
Best Match:
CHEMBL1909065

L: Levacetylmethadol
5HT2B_HUMAN

Docking Scores:
-7.57 -7.59 -7.73
Similarity Score:
56.38%
Best Match:
CHEMBL1277769

L: Rofecoxib
5HT2B_HUMAN

Docking Scores:
-8.55 -8.80 -8.40
Similarity Score:
35.59%
Best Match:
CHEMBL521805

L: Amantadine
5HT2C_HUMAN

Docking Scores:
-5.68 -6.03
Similarity Score:
40.00%
Best Match:
CHEMBL334255

L: Alfentanil
5HT2C_HUMAN

Docking Scores:
-7.98 -8.46
Similarity Score:
38.29%
Best Match:
CHEMBL1729

L: Pimecrolimus
5HT2C_HUMAN

Docking Scores:
-6.51 3.42
Similarity Score:
35.95%
Best Match:
CHEMBL1909065

L: Levacetylmethadol
5HT2C_HUMAN

Docking Scores:
-7.52 -7.73
Similarity Score:
58.89%
Best Match:
CHEMBL517712

L: Rofecoxib
5HT2C_HUMAN

Docking Scores:
-8.99 -9.56
Similarity Score:
46.55%
Best Match:
CHEMBL1084721