Reaction Details |
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Target | 5-hydroxytryptamine receptor 3A/3B |
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Ligand | BDBM50083174 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2986 (CHEMBL621503) |
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Ki | 0.28±n/a nM |
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Citation | López-Rodríguez, ML; Benhamú, B; Morcillo, MJ; Tejada, ID; Orensanz, L; Alfaro, MJ; Martín, MI Benzimidazole derivatives. 2. Synthesis and structure-activity relationships of new azabicyclic benzimidazole-4-carboxylic acid derivatives with affinity for serotoninergic 5-HT(3) receptors. J Med Chem42:5020-8 (2000) [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 |
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: | MILLWSCLLVAVVGILGTATPQPGNSSLHRLTRQLLQQYHKEVRPVYNWAEATTVYLDLC
VHAVLDVDVQNQKLKTSMWYREVWNDEFLSWNSSLFDDIQEISLPLSAIWAPDIIINEFV
DVERSPDLPYVYVNSSGTIRNHKPIQVVSACSLQTYAFPFDIQNCSLTFNSILHTVEDID
LGFLRNQEDIENDKRSFLNDSEWQLLSVTSTYHIRQSSAGDFAQIRFNVVIRRCPLAYVV
SLLIPSIFLMLVDLGSFYLPPNCRARIVFKTNVLVGYTVFRVNMSDEVPRSAGCTSLIGV
FFTVCMALLVLSLSKSILLIKFLYEERHSEQERPLMCLRGDSDANESRLYLRAPCAEDTE
SPVRQEHQVPSDTLKDFWFQLQSINNSLRTRDQVYQKEVEWLAILCHFDQLLFRIYLAVL
GLYTVTLCSLWALWSRM
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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: | MPLCIPQVLLALFLSVLIAQGEGSRRRATQAHSTTQPALLRLSDHLLANYKKGVRPVRDW
RKPTLVSIDVIMYAILNVDEKNQVLTTYIWYRQFWTDEFLQWTPEDFDNVTKLSIPTDSI
WVPDILINEFVDVGKSPSIPYVYVHHQGEVQNYKPLQLVTACSLDIYNFPFDVQNCSLTF
TSWLHTIQDINISLWRTPEEVRSDKSIFINQGEWELLGVFTKFQEFSIETSNSYAEMKFY
VVIRRRPLFYAVSLLLPSIFLMVVDIVGFCLPPDSGERVSFKITLLLGYSVFLIIVSDTL
PATAIGTPLIGVYFVVCMALLVISLAETIFIVQLVHKQDLQRPVPDWLRHLVLDRIAWLL
CLGEQPMAHRPPATFQANKTDDCSAMGNHCSHVGSPQDLEKTSRSRDSPLPPPREASLAV
RGLLQELSSIRHSLEKRDEMREVARDWLRVGYVLDRLLFRIYLLAVLAYSITLVTLWSIW
HYS
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BDBM50083174 |
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n/a |
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Name | BDBM50083174 |
Synonyms: | 6-Bromo-1H-benzoimidazole-4-carboxylic acid (1-aza-bicyclo[2.2.2]oct-3-yl)-amide | CHEMBL148080 |
Type | Small organic molecule |
Emp. Form. | C15H17BrN4O |
Mol. Mass. | 349.226 |
SMILES | Brc1cc(C(=O)N[C@@H]2CN3CCC2CC3)c2[nH]cnc2c1 |wU:7.6,(6.11,-5.96,;7.44,-6.74,;8.76,-5.98,;10.11,-6.74,;11.43,-5.96,;11.43,-4.42,;12.77,-6.72,;14.09,-5.94,;14.07,-7.48,;15.41,-6.7,;14.23,-5.26,;14.29,-4.17,;15.57,-5.54,;17.05,-5.93,;16.89,-7.1,;10.11,-8.29,;11.26,-9.31,;10.63,-10.72,;9.09,-10.59,;8.76,-9.08,;7.44,-8.29,)| |
Structure |
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