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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | 5-hydroxytryptamine receptor 3A | ||
| Ligand | BDBM50334452 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_700634 (CHEMBL1648623) | ||
| Ki | 0.9±n/a nM | ||
| Citation |  Manning, DD; Cioffi, CL; Usyatinsky, A; Fitzpatrick, K; Masih, L; Guo, C; Zhang, Z; Choo, SH; Sikkander, MI; Ryan, KN; Naginskaya, J; Hassler, C; Dobritsa, S; Wierschke, JD; Earley, WG; Butler, AS; Brady, CA; Barnes, NM; Cohen, ML; Guzzo, PR Novel serotonin type 3 receptor partial agonists for the potential treatment of irritable bowel syndrome. Bioorg Med Chem Lett21:58-61 (2010) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| 5-hydroxytryptamine receptor 3A | |||
| Name: | 5-hydroxytryptamine receptor 3A | ||
| Synonyms: | 5-HT-3 | 5-HT3 | 5-HT3A | 5-HT3R | 5-hydroxytryptamine receptor 3 (5-HT3) | 5-hydroxytryptamine receptor 3A (5-HT3a) | 5-hydroxytryptamine receptor 3A (5HT3A) | 5HT3A_HUMAN | 5HT3R | HTR3 | HTR3A | Serotonin 3 (5-HT3) receptor | Serotonin 3 receptor (5HT3) | Serotonin receptor 3A | Serotonin-gated ion channel receptor | Serotonin-gated ion channel receptor 3 | ||
| Type: | Protein | ||
| Mol. Mass.: | 55283.27 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P46098 | ||
| Residue: | 478 | ||
| Sequence: |
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| BDBM50334452 | |||
| n/a | |||
| Name | BDBM50334452 | ||
| Synonyms: | (R)-5-methyl-2-(quinuclidin-3-yl)-2,3-dihydropyrrolo[4,3,2-de]isoquinolin-1(5H)-one | CHEMBL1643893 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C18H21N3O | ||
| Mol. Mass. | 295.3788 | ||
| SMILES | Cn1cc2CN([C@H]3CN4CCC3CC4)C(=O)c3cccc1c23 |r,wU:6.5,(-3.65,-33.57,;-4.2,-32.13,;-3.17,-30.38,;-4.32,-29.35,;-4.32,-27.8,;-5.66,-27.04,;-5.66,-25.5,;-7,-24.74,;-6.99,-23.19,;-5.66,-22.42,;-4.33,-23.2,;-4.33,-24.73,;-5.83,-24.22,;-5.51,-23.59,;-6.98,-27.8,;-8.33,-27.02,;-6.99,-29.35,;-8.32,-30.12,;-8.32,-31.66,;-6.98,-32.43,;-5.66,-31.66,;-5.65,-30.12,)| | ||
| Structure | 
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