Reaction Details | |||
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Target | 5-hydroxytryptamine receptor 3A/3B | ||
Ligand | BDBM50000485 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_2987 (CHEMBL621504) | ||
Ki | 0.190000±n/a nM | ||
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] | ||
More Info.: | Get all data from this article, Assay Method | ||
5-hydroxytryptamine receptor 3A/3B | |||
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: |
| ||
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: |
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BDBM50000485 | |||
n/a | |||
Name | BDBM50000485 | ||
Synonyms: | (S)-2-(5-chlorospiro[2,3-dihydrobenzo[b]furan-2,1'-cyclohexane]-6-ylcarboxamido)-4-azabicyclo[2.2.2]octane | CHEMBL353196 | ||
Type | Small organic molecule | ||
Emp. Form. | C21H27ClN2O2 | ||
Mol. Mass. | 374.904 | ||
SMILES | Clc1cc2CC3(CCCCC3)Oc2c(c1)C(=O)N[C@@H]1CN2CCC1CC2 |wU:18.20,(5.27,-4.79,;6.6,-5.56,;6.6,-7.11,;7.93,-7.88,;8.26,-9.38,;9.8,-9.54,;9.03,-10.87,;9.8,-12.21,;11.35,-12.21,;12.12,-10.87,;11.35,-9.52,;10.41,-8.14,;9.27,-7.11,;9.27,-5.55,;7.93,-4.79,;10.6,-4.77,;10.04,-3.34,;12.12,-5,;13.08,-3.79,;14.6,-4.1,;15.63,-2.95,;15.14,-1.5,;13.64,-1.18,;12.61,-2.34,;13.71,-3.05,;14.57,-2.32,)| | ||
Structure |