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Target
5-hydroxytryptamine receptor 3A/3B
Ligand
BDBM50132534
Substrate
n/a
Meas. Tech.
ChEMBL_2974 (CHEMBL872920)
Ki
33±n/a nM
Citation
 López-Rodríguez, ML; Benhamú, B; Morcillo, MJ; Tejada, I; Avila, D; Marco, I; Schiapparelli, L; Frechilla, D; Del Río, J Design and synthesis of new benzimidazole-arylpiperazine derivatives acting as mixed 5-HT1A/5-HT3 ligands. Bioorg Med Chem Lett 13:3177-80 (2003) [PubMed]  Article 
Target
Name:
5-hydroxytryptamine receptor 3A/3B
Synonyms:
Serotonin 3 (5-HT3) receptor | Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of EBI is 2974
Components:
This complex has 2 components.
Component 1
Name:
5-hydroxytryptamine receptor 3B
Synonyms:
5HT3B_RAT | Htr3b | Serotonin (5-HT) receptor
Type:
PROTEIN
Mol. Mass.:
50328.78
Organism:
Rattus norvegicus
Description:
EBI_11885
Residue:
437
Sequence:
MILLWSCLLVAVVGILGTATPQPGNSSLHRLTRQLLQQYHKEVRPVYNWAEATTVYLDLCVHAVLDVDVQNQKLKTSMWYREVWNDEFLSWNSSLFDDIQEISLPLSAIWAPDIIINEFVDVERSPDLPYVYVNSSGTIRNHKPIQVVSACSLQTYAFPFDIQNCSLTFNSILHTVEDIDLGFLRNQEDIENDKRSFLNDSEWQLLSVTSTYHIRQSSAGDFAQIRFNVVIRRCPLAYVVSLLIPSIFLMLVDLGSFYLPPNCRARIVFKTNVLVGYTVFRVNMSDEVPRSAGCTSLIGVFFTVCMALLVLSLSKSILLIKFLYEERHSEQERPLMCLRGDSDANESRLYLRAPCAEDTESPVRQEHQVPSDTLKDFWFQLQSINNSLRTRDQVYQKEVEWLAILCHFDQLLFRIYLAVLGLYTVTLCSLWALWSRM
  
Component 2
Name:
5-hydroxytryptamine receptor 3A
Synonyms:
5-HT3 | 5-hydroxytryptamine receptor 3A | 5HT3A_RAT | 5ht3 | Htr3 | Htr3a | Serotonin (5-HT) receptor | Zacopride site-R
Type:
Enzyme Catalytic Domain
Mol. Mass.:
55428.70
Organism:
RAT
Description:
5-HT3 HTR3A RAT::P35563
Residue:
483
Sequence:
MPLCIPQVLLALFLSVLIAQGEGSRRRATQAHSTTQPALLRLSDHLLANYKKGVRPVRDWRKPTLVSIDVIMYAILNVDEKNQVLTTYIWYRQFWTDEFLQWTPEDFDNVTKLSIPTDSIWVPDILINEFVDVGKSPSIPYVYVHHQGEVQNYKPLQLVTACSLDIYNFPFDVQNCSLTFTSWLHTIQDINISLWRTPEEVRSDKSIFINQGEWELLGVFTKFQEFSIETSNSYAEMKFYVVIRRRPLFYAVSLLLPSIFLMVVDIVGFCLPPDSGERVSFKITLLLGYSVFLIIVSDTLPATAIGTPLIGVYFVVCMALLVISLAETIFIVQLVHKQDLQRPVPDWLRHLVLDRIAWLLCLGEQPMAHRPPATFQANKTDDCSAMGNHCSHVGSPQDLEKTSRSRDSPLPPPREASLAVRGLLQELSSIRHSLEKRDEMREVARDWLRVGYVLDRLLFRIYLLAVLAYSITLVTLWSIWHYS
  
Inhibitor
Name:
BDBM50132534
Synonyms:
2-(4-Naphthalen-1-yl-piperazin-1-ylmethyl)-1H-benzoimidazole-4-carboxylic acid (1-aza-bicyclo[2.2.2]oct-3-yl)-amide | CHEMBL321661
Type:
Small organic molecule
Emp. Form.:
C30H34N6O
Mol. Mass.:
494.6306
SMILES:
O=C(NC1CN2CCC1CC2)c1cccc2nc(CN3CCN(CC3)c3cccc4ccccc34)[nH]c12 |THB:2:3:7.6:9.10,(2.95,4.78,;1.62,4.01,;.28,4.76,;-1.07,3.98,;-.97,2.56,;-2.26,3.4,;-3.87,2.96,;-3.87,4.36,;-2.3,4.8,;-2,6.41,;-1.72,5.24,;1.62,2.45,;.29,1.68,;.29,.13,;1.62,-.64,;2.96,.13,;4.43,-.35,;5.35,.91,;6.89,.91,;7.66,-.43,;7.86,-1.66,;6.95,-3.24,;8.14,-4.22,;7.96,-2.9,;8.85,-1.41,;8.9,-5.56,;8.1,-6.88,;8.87,-8.22,;10.41,-8.24,;11.18,-6.91,;12.72,-6.91,;13.49,-5.6,;12.74,-4.25,;11.21,-4.25,;10.44,-5.56,;4.43,2.16,;2.96,1.68,)|
Structure:
Search PDB for entries with ligand similarity: