Anti-pain drug nv1 #225 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: Icatibant
5HT1B_HUMAN

Docking Scores:
-8.12 -8.40 -1.53
Similarity Score:
43.54%
Best Match:
CHEMBL72062

L: Nefazodone
5HT1B_HUMAN

Docking Scores:
-9.48 -9.44 -9.33
Similarity Score:
42.93%
Best Match:
CHEMBL426317

L: Balsalazide
5HT1B_HUMAN

Docking Scores:
-9.53 -9.14 -9.50
Similarity Score:
35.22%
Best Match:
CHEMBL347570

L: Alfentanil
5HT1B_HUMAN

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

L: Carbamoylcholine
5HT1B_HUMAN

Docking Scores:
-4.52 -4.60 -4.63
Similarity Score:
31.82%
Best Match:
CHEMBL138958

L: Icatibant
5HT2A_HUMAN

Docking Scores:
10.51 ?
Similarity Score:
?
Best Match:
?

L: Nefazodone
5HT2A_HUMAN

Docking Scores:
-10.28 -10.03
Similarity Score:
100.00%
Best Match:
CHEMBL623

L: Balsalazide
5HT2A_HUMAN

Docking Scores:
-9.16 -9.40
Similarity Score:
40.00%
Best Match:
CHEMBL3597649

L: Alfentanil
5HT2A_HUMAN

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

L: Carbamoylcholine
5HT2A_HUMAN

Docking Scores:
-4.36 -4.47
Similarity Score:
36.54%
Best Match:
CHEMBL1123

L: Icatibant
5HT2B_HUMAN

Docking Scores:
-5.50 -10.72 6.53
Similarity Score:
44.33%
Best Match:
CHEMBL2337496

L: Nefazodone
5HT2B_HUMAN

Docking Scores:
-9.27 -9.83 -10.00
Similarity Score:
51.98%
Best Match:
CHEMBL621

L: Balsalazide
5HT2B_HUMAN

Docking Scores:
-9.11 -9.33 -10.11
Similarity Score:
40.77%
Best Match:
CHEMBL473391

L: Alfentanil
5HT2B_HUMAN

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

L: Carbamoylcholine
5HT2B_HUMAN

Docking Scores:
-4.52 -4.23 -4.27
Similarity Score:
36.54%
Best Match:
CHEMBL1123

L: Icatibant
5HT2C_HUMAN

Docking Scores:
-7.78 -6.15
Similarity Score:
45.16%
Best Match:
CHEMBL2397891

L: Nefazodone
5HT2C_HUMAN

Docking Scores:
-9.60 -10.28
Similarity Score:
51.98%
Best Match:
CHEMBL621

L: Balsalazide
5HT2C_HUMAN

Docking Scores:
-9.13 -9.02
Similarity Score:
39.72%
Best Match:
CHEMBL3597636

L: Alfentanil
5HT2C_HUMAN

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

L: Carbamoylcholine
5HT2C_HUMAN

Docking Scores:
-4.29 -4.59
Similarity Score:
36.54%
Best Match:
CHEMBL1123