Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 3A/3B
Ligand
BDBM50452967
Substrate
n/a
Meas. Tech.
ChEMBL_3039 (CHEMBL620657)
IC50
42±n/a nM
Citation
 Swain, CJ; Baker, R; Kneen, C; Moseley, J; Saunders, J; Seward, EM; Stevenson, G; Beer, M; Stanton, J; Watling, K Novel 5-HT3 antagonists. Indole oxadiazoles. J Med Chem 34:140-51 (1991) [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:
BDBM50452967
Synonyms:
CHEMBL284315
Type:
Small organic molecule
Emp. Form.:
C15H17N3O2
Mol. Mass.:
271.3144
SMILES:
Oc1ccccc1-c1noc(n1)C1CN2CCC1CC2 |(12.68,-8.02,;12.65,-9.52,;11.34,-10.27,;11.3,-11.8,;12.63,-12.57,;13.94,-11.81,;13.95,-10.32,;15.28,-9.56,;15.26,-8.06,;17.87,-8.04,;17.9,-9.55,;16.59,-10.32,;19.31,-10.35,;19.33,-11.96,;20.62,-12.71,;21.43,-11.33,;19.87,-10.9,;20.69,-9.52,;22.11,-10.32,;22.12,-11.94,)|
Structure:
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