Reaction Details Report a problem with these data
Target
Alpha-1A adrenergic receptor
Ligand
BDBM50213538
Substrate
n/a
Meas. Tech.
ChEMBL_438892 (CHEMBL889235)
Ki
1.8±n/a nM
Citation
 Chiu, G; Li, S; Connolly, PJ; Pulito, V; Liu, J; Middleton, SA (Phenylpiperidinyl)cyclohexylsulfonamides: development of alpha1a/1d-selective adrenergic receptor antagonists for the treatment of benign prostatic hyperplasia/lower urinary tract symptoms (BPH/LUTS). Bioorg Med Chem Lett 17:3930-4 (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:
BDBM50213538
Synonyms:
5-chloro-N-((1s,4s)-4-(4-(2-cyclopropoxyphenyl)piperidin-1-yl)cyclohexyl)-2-fluorobenzenesulfonamide | CHEMBL228280
Type:
Small organic molecule
Emp. Form.:
C26H32ClFN2O3S
Mol. Mass.:
507.06
SMILES:
Fc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OC1CC1 |wU:15.19,12.12,(9.95,-45.7,;9.18,-44.37,;9.94,-43.03,;9.15,-41.7,;7.6,-41.72,;6.82,-40.4,;6.85,-43.06,;7.63,-44.38,;6.87,-45.72,;5.52,-44.99,;8.22,-46.47,;6.15,-47.08,;4.62,-47.14,;3.89,-48.5,;2.36,-48.56,;1.54,-47.26,;2.25,-45.9,;3.79,-45.84,;.01,-47.32,;-.71,-48.68,;-2.24,-48.74,;-3.07,-47.44,;-2.36,-46.08,;-.82,-46.02,;-4.61,-47.51,;-5.32,-48.88,;-6.86,-48.95,;-7.68,-47.64,;-6.98,-46.28,;-5.44,-46.21,;-4.74,-44.84,;-5.57,-43.54,;-5.64,-42,;-6.94,-42.83,)|
Structure:
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