Reaction Details Report a problem with these data
Target
5-hydroxytryptamine receptor 3A/3B
Ligand
BDBM50452972
Substrate
n/a
Meas. Tech.
ChEMBL_3039 (CHEMBL620657)
IC50
55±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:
BDBM50452972
Synonyms:
CHEMBL37237
Type:
Small organic molecule
Emp. Form.:
C19H22N4O
Mol. Mass.:
322.4042
SMILES:
Cn1cc(-c2noc(CC3CN4CCC3CC4)n2)c2ccccc12 |(12.11,-13.55,;12.09,-12.04,;13.41,-11.27,;13.4,-9.74,;14.49,-8.65,;14.47,-7.12,;17.11,-7.12,;17.11,-8.64,;18.24,-9.77,;19.83,-9.33,;19.81,-7.7,;21.2,-6.87,;22.63,-7.66,;22.63,-9.26,;21.12,-10.08,;21.95,-8.68,;20.37,-8.27,;15.79,-9.42,;10.76,-9.74,;9.43,-8.98,;8.11,-9.76,;8.11,-11.29,;9.43,-12.05,;10.76,-11.27,)|
Structure:
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