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Target
5-hydroxytryptamine receptor 3A/3B
Ligand
BDBM50132535
Substrate
n/a
Meas. Tech.
ChEMBL_2974 (CHEMBL872920)
Ki
24±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:
BDBM50132535
Synonyms:
2-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-ylmethyl]-1H-benzoimidazole-4-carboxylic acid (1-aza-bicyclo[2.2.2]oct-3-yl)-amide | CHEMBL110229
Type:
Small organic molecule
Emp. Form.:
C27H31F3N6O
Mol. Mass.:
512.5698
SMILES:
FC(F)(F)c1cccc(c1)N1CCN(Cc2nc3cccc(C(=O)NC4CN5CCC4CC5)c3[nH]2)CC1 |TLB:24:25:31.32:29.28,(13.78,-6.79,;12.36,-6.79,;13.38,-8.04,;13.39,-5.55,;10.82,-6.78,;10.05,-8.12,;8.51,-8.1,;7.75,-6.76,;8.54,-5.44,;10.08,-5.44,;7.79,-4.1,;6.6,-3.12,;7.51,-1.54,;7.3,-.31,;6.54,1.03,;5,1.03,;4.08,-.23,;2.61,.25,;1.27,-.52,;-.06,.25,;-.06,1.79,;1.27,2.56,;1.27,4.12,;2.6,4.89,;-.07,4.87,;-1.41,4.09,;-1.32,2.67,;-2.6,3.51,;-2.07,5.35,;-2.35,6.52,;-2.65,4.91,;-4.21,4.48,;-4.22,3.07,;2.61,1.79,;4.08,2.28,;8.49,-1.29,;7.6,-2.78,)|
Structure:
Search PDB for entries with ligand similarity: