Search and Browse
Download
Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Alpha-1A adrenergic receptor | ||
| Ligand | BDBM50211333 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_444276 (CHEMBL894516) | ||
| Ki | 6±n/a nM | ||
| Citation |  Chiu, G; Li, S; Connolly, PJ; Pulito, V; Liu, J; Middleton, SA (Arylpiperazinyl)cyclohexylsufonamides: discovery of alpha(1a/1d)-selective adrenergic receptor antagonists for the treatment of Benign Prostatic Hyperplasia/Lower Urinary Tract Symptoms (BPH/LUTS). Bioorg Med Chem Lett17:3292-7 (2007) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Alpha-1A adrenergic receptor | |||
| Name: | Alpha-1A adrenergic receptor | ||
| Synonyms: | ADA1A_HUMAN | ADRA1A | ADRA1C | Adrenergic alpha1A | Alpha 1A-adrenoceptor | Alpha 1A-adrenoreceptor | Alpha adrenergic receptor 1a | Alpha-1C adrenergic receptor | Alpha-adrenergic receptor 1c | Cerebral cortex alpha adrenergic receptor | adrenergic Alpha1 | adrenergic Alpha1C | ||
| Type: | Cell-surface receptors | ||
| Mol. Mass.: | 51511.67 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P35348 | ||
| Residue: | 466 | ||
| Sequence: |
| ||
| BDBM50211333 | |||
| n/a | |||
| Name | BDBM50211333 | ||
| Synonyms: | 5-fluoro-N-((1s,4s)-4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)-2-methoxybenzenesulfonamide | CHEMBL233814 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C26H36FN3O4S | ||
| Mol. Mass. | 505.645 | ||
| SMILES | COc1ccc(F)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCN(CC1)c1ccccc1OC(C)C |wU:16.20,13.13,(9.38,-31.96,;7.85,-31.96,;7.07,-30.62,;7.83,-29.29,;7.07,-27.96,;5.53,-27.96,;4.75,-26.6,;4.78,-29.27,;5.54,-30.62,;4.77,-31.96,;3.44,-31.19,;6.11,-32.74,;4,-33.28,;2.44,-33.28,;1.67,-34.61,;.15,-34.61,;-.63,-33.28,;.15,-31.94,;1.68,-31.96,;-2.17,-33.28,;-2.94,-34.61,;-4.48,-34.61,;-5.26,-33.29,;-4.47,-31.95,;-2.93,-31.95,;-6.8,-33.29,;-7.57,-34.61,;-9.11,-34.61,;-9.88,-33.28,;-9.11,-31.94,;-7.57,-31.94,;-6.8,-30.6,;-7.58,-29.27,;-6.8,-27.93,;-9.11,-29.27,)| | ||
| Structure | 
| ||