Reaction Details Report a problem with these data
Target
Alpha-1A adrenergic receptor
Ligand
BDBM50211345
Substrate
n/a
Meas. Tech.
ChEMBL_444276 (CHEMBL894516)
Ki
1±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 Lett 17:3292-7 (2007) [PubMed]  Article 
Target
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:
MVFLSGNASDSSNCTQPPAPVNISKAILLGVILGGLILFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEVLGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGLMALLCVWALSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYLPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNAPAGGSGMASAKTKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLCRKQSSKHALGYTLHPPSQAVEGQHKDMVRIPVGSRETFYRISKTDGVCEWKFFSSMPRGSARITVSKDQSSCTTARVRSKSFLQVCCCVGPSTPSLDKNHQVPTIKVHTISLSENGEEV
  
Inhibitor
Name:
BDBM50211345
Synonyms:
CHEMBL232593 | N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)-2-nitrobenzenesulfonamide
Type:
Small organic molecule
Emp. Form.:
C25H34N4O5S
Mol. Mass.:
502.626
SMILES:
CC(C)Oc1ccccc1N1CCN(CC1)[C@H]1CC[C@@H](CC1)NS(=O)(=O)c1ccccc1[N+]([O-])=O |wU:16.17,wD:19.24,(-5.99,-39.63,;-6.77,-40.96,;-8.31,-40.94,;-6.02,-42.3,;-6.81,-43.62,;-8.35,-43.61,;-9.13,-44.93,;-8.37,-46.28,;-6.83,-46.29,;-6.05,-44.97,;-4.52,-44.99,;-3.76,-46.32,;-2.22,-46.34,;-1.44,-45.02,;-2.19,-43.68,;-3.73,-43.67,;.09,-45.04,;.88,-43.72,;2.42,-43.74,;3.17,-45.09,;2.38,-46.41,;.85,-46.39,;4.73,-45.12,;5.5,-43.79,;4.17,-43.02,;6.83,-44.56,;6.26,-42.45,;5.49,-41.13,;6.24,-39.79,;7.79,-39.78,;8.57,-41.1,;7.81,-42.44,;8.59,-43.78,;7.83,-45.12,;10.13,-43.77,)|
Structure:
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