Reaction Details | |||
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Target | Alpha-1A adrenergic receptor | ||
Ligand | BDBM50211353 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_444276 (CHEMBL894516) | ||
Ki | 4.8±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: |
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BDBM50211353 | |||
n/a | |||
Name | BDBM50211353 | ||
Synonyms: | CHEMBL236617 | N-((1s,4s)-4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)-4-(methylsulfonyl)benzenesulfonamide | ||
Type | Small organic molecule | ||
Emp. Form. | C26H37N3O5S2 | ||
Mol. Mass. | 535.719 | ||
SMILES | CC(C)Oc1ccccc1N1CCN(CC1)[C@@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccc(cc1)S(C)(=O)=O |wU:16.17,19.24,(-6.29,-27.2,;-7.06,-28.53,;-8.6,-28.53,;-6.29,-29.86,;-7.05,-31.19,;-8.6,-31.19,;-9.38,-32.53,;-8.6,-33.89,;-7.04,-33.89,;-6.29,-32.52,;-4.73,-32.52,;-3.96,-33.86,;-2.42,-33.86,;-1.65,-32.54,;-2.43,-31.19,;-3.98,-31.19,;-.13,-32.54,;.64,-33.87,;2.18,-33.87,;2.96,-32.54,;2.17,-31.19,;.64,-31.2,;4.49,-32.54,;5.26,-31.21,;3.93,-30.44,;6.6,-31.98,;6.03,-29.87,;7.59,-29.87,;8.36,-28.55,;7.59,-27.23,;6.03,-27.23,;5.27,-28.55,;8.37,-25.89,;9.14,-24.55,;9.71,-26.66,;7.05,-25.12,)| | ||
Structure |