| Reaction Details |
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 | Report a problem with these data |
| Target | 5-hydroxytryptamine receptor 3A/3B |
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| Ligand | BDBM50000479 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2987 (CHEMBL621504) |
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| Ki | 1.2±n/a nM |
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| Citation |  Youssefyeh, RD; Campbell, HF; Klein, S; Airey, JE; Darkes, P; Powers, M; Schnapper, M; Neuenschwander, K; Fitzpatrick, LR; Pendley, CE Development of high-affinity 5-HT3 receptor antagonists. 1. Initial structure-activity relationship of novel benzamides. J Med Chem35:895-903 (1992) [PubMed] |
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| More Info.: | Get all data from this article, Assay Method |
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| 5-hydroxytryptamine receptor 3A/3B |
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| Name: | 5-hydroxytryptamine receptor 3A/3B |
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| Synonyms: | Serotonin 3 (5-HT3) receptor | Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of EBI is 2974 |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | 5-hydroxytryptamine receptor 3B |
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| Synonyms: | 5HT3B_RAT | Htr3b | Serotonin (5-HT) receptor |
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| Type: | PROTEIN |
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| Mol. Mass.: | 50328.78 |
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| Organism: | Rattus norvegicus |
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| Description: | EBI_11885 |
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| Residue: | 437 |
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| Sequence: | MILLWSCLLVAVVGILGTATPQPGNSSLHRLTRQLLQQYHKEVRPVYNWAEATTVYLDLC
VHAVLDVDVQNQKLKTSMWYREVWNDEFLSWNSSLFDDIQEISLPLSAIWAPDIIINEFV
DVERSPDLPYVYVNSSGTIRNHKPIQVVSACSLQTYAFPFDIQNCSLTFNSILHTVEDID
LGFLRNQEDIENDKRSFLNDSEWQLLSVTSTYHIRQSSAGDFAQIRFNVVIRRCPLAYVV
SLLIPSIFLMLVDLGSFYLPPNCRARIVFKTNVLVGYTVFRVNMSDEVPRSAGCTSLIGV
FFTVCMALLVLSLSKSILLIKFLYEERHSEQERPLMCLRGDSDANESRLYLRAPCAEDTE
SPVRQEHQVPSDTLKDFWFQLQSINNSLRTRDQVYQKEVEWLAILCHFDQLLFRIYLAVL
GLYTVTLCSLWALWSRM
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| Component 2 |
| Name: | 5-hydroxytryptamine receptor 3A |
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| Synonyms: | 5-HT3 | 5-hydroxytryptamine receptor 3A | 5HT3A_RAT | 5ht3 | Htr3 | Htr3a | Serotonin (5-HT) receptor | Zacopride site-R |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 55428.70 |
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| Organism: | RAT |
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| Description: | 5-HT3 HTR3A RAT::P35563 |
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| Residue: | 483 |
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| Sequence: | MPLCIPQVLLALFLSVLIAQGEGSRRRATQAHSTTQPALLRLSDHLLANYKKGVRPVRDW
RKPTLVSIDVIMYAILNVDEKNQVLTTYIWYRQFWTDEFLQWTPEDFDNVTKLSIPTDSI
WVPDILINEFVDVGKSPSIPYVYVHHQGEVQNYKPLQLVTACSLDIYNFPFDVQNCSLTF
TSWLHTIQDINISLWRTPEEVRSDKSIFINQGEWELLGVFTKFQEFSIETSNSYAEMKFY
VVIRRRPLFYAVSLLLPSIFLMVVDIVGFCLPPDSGERVSFKITLLLGYSVFLIIVSDTL
PATAIGTPLIGVYFVVCMALLVISLAETIFIVQLVHKQDLQRPVPDWLRHLVLDRIAWLL
CLGEQPMAHRPPATFQANKTDDCSAMGNHCSHVGSPQDLEKTSRSRDSPLPPPREASLAV
RGLLQELSSIRHSLEKRDEMREVARDWLRVGYVLDRLLFRIYLLAVLAYSITLVTLWSIW
HYS
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| BDBM50000479 |
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| n/a |
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| Name | BDBM50000479 |
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| Synonyms: | 7-Chloro-2,3,4,5-tetrahydro-benzo[b]oxepine-9-carboxylic acid (1-aza-bicyclo[2.2.2]oct-3-yl)-amide | CHEMBL424950 |
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| Type | Small organic molecule |
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| Emp. Form. | C18H23ClN2O2 |
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| Mol. Mass. | 334.84 |
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| SMILES | Clc1cc2CCCCOc2c(c1)C(=O)NC1CN2CCC1CC2 |(3.81,-7.51,;5.15,-6.74,;6.48,-7.51,;7.82,-6.74,;9.03,-7.7,;10.52,-7.35,;11.18,-5.96,;10.52,-4.59,;9.03,-4.24,;7.82,-5.2,;6.48,-4.43,;5.15,-5.2,;6.48,-2.88,;5.15,-2.11,;7.82,-2.11,;7.82,-.57,;9.21,.13,;9.29,1.65,;8,2.52,;6.62,1.82,;6.53,.27,;7.84,.39,;8.07,1.5,)| |
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| Structure | 
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