Reaction Details | |||
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Target | 5-hydroxytryptamine receptor 3A/3B | ||
Ligand | BDBM50000449 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_3411 (CHEMBL620725) | ||
Ki | 2.5±n/a nM | ||
Citation | Clark, RD; Miller, AB; Berger, J; Repke, DB; Weinhardt, KK; Kowalczyk, BA; Eglen, RM; Bonhaus, DW; Lee, CH; Michel, AD 2-(Quinuclidin-3-yl)pyrido[4,3-b]indol-1-ones and isoquinolin-1-ones. Potent conformationally restricted 5-HT3 receptor antagonists. J Med Chem36:2645-57 (1993) [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: |
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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: |
| ||
BDBM50000449 | |||
n/a | |||
Name | BDBM50000449 | ||
Synonyms: | CHEMBL545717 | ||
Type | Small organic molecule | ||
Emp. Form. | C19H25ClN2O | ||
Mol. Mass. | 332.868 | ||
SMILES | Cl.[H][C@@]12CCCc3cccc(C(=O)N(C1)[C@H]1CN4CCC1CC4)c23 |r,wU:2.0,wD:15.14,(5.24,-.81,;,-2.57,;,-1.54,;1.33,-2.33,;2.67,-1.54,;2.67,,;1.33,.77,;1.33,2.31,;,3.1,;-1.33,2.31,;-1.33,.77,;-2.67,,;-3.74,.62,;-2.67,-1.54,;-1.33,-2.33,;-4.01,-2.31,;-5.39,-1.47,;-6.79,-2.26,;-5.82,-3.45,;-4.71,-2.85,;-3.99,-3.93,;-5.4,-4.72,;-6.81,-3.88,;)| | ||
Structure |