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Target
5-hydroxytryptamine receptor 3A/3B
Ligand
BDBM50132539
Substrate
n/a
Meas. Tech.
ChEMBL_2974 (CHEMBL872920)
Ki
23±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:
BDBM50132539
Synonyms:
2-(4-Phenyl-piperazin-1-ylmethyl)-1H-benzoimidazole-4-carboxylic acid (1-aza-bicyclo[2.2.2]oct-3-yl)-amide | CHEMBL105812
Type:
Small organic molecule
Emp. Form.:
C26H32N6O
Mol. Mass.:
444.5719
SMILES:
O=C(NC1CN2CCC1CC2)c1cccc2nc(CN3CCN(CC3)c3ccccc3)[nH]c12 |TLB:2:3:9.10:7.6,(2.66,3.49,;1.33,2.71,;-.02,3.48,;-1.35,2.7,;-1.26,1.28,;-2.54,2.12,;-2,3.96,;-2.29,5.13,;-2.59,3.52,;-4.15,3.08,;-4.17,1.67,;1.34,1.17,;.01,.4,;.01,-1.15,;1.34,-1.92,;2.67,-1.15,;4.14,-1.63,;5.06,-.37,;6.6,-.37,;7.37,-1.71,;7.57,-2.94,;6.66,-4.53,;7.85,-5.51,;7.66,-4.18,;8.56,-2.69,;8.61,-6.84,;10.15,-6.84,;10.9,-8.17,;10.11,-9.53,;8.57,-9.5,;7.82,-8.17,;4.14,.88,;2.67,.4,)|
Structure:
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