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Target
Alpha-1A adrenergic receptor
Ligand
BDBM50213523
Substrate
n/a
Meas. Tech.
ChEMBL_450222 (CHEMBL900497)
Ki
12±n/a nM
Citation
 Chiu, G; Li, S; Cai, H; Connolly, PJ; Peng, S; Stauber, K; Pulito, V; Liu, J; Middleton, SA Aminocyclohexylsulfonamides: discovery of metabolically stable alpha(1a/1d)-selective adrenergic receptor antagonists for the treatment of benign prostatic hyperplasia/lower urinary tract symptoms (BPH/LUTS). Bioorg Med Chem Lett 17:6123-8 (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:
BDBM50213523
Synonyms:
CHEMBL387833 | N-((1s,4s)-4-(4-(2-(2,2-difluoroethoxy)phenyl)piperidin-1-yl)cyclohexyl)-3,4-dimethoxybenzenesulfonamide
Type:
Small organic molecule
Emp. Form.:
C27H36F2N2O5S
Mol. Mass.:
538.647
SMILES:
COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OCC(F)F |wU:17.21,14.14,(10.25,-37,;8.71,-36.99,;7.93,-38.32,;6.37,-38.32,;5.6,-39.66,;6.36,-40.99,;7.93,-40.99,;8.69,-39.66,;10.23,-39.67,;10.99,-41.01,;5.59,-42.33,;4.27,-41.57,;6.95,-43.11,;4.84,-43.64,;3.26,-43.64,;2.5,-44.96,;.98,-44.96,;.21,-43.6,;.97,-42.29,;2.51,-42.33,;-1.36,-43.6,;-2.13,-44.93,;-3.66,-44.93,;-4.43,-43.59,;-3.66,-42.25,;-2.12,-42.29,;-5.98,-43.59,;-6.76,-44.92,;-8.3,-44.92,;-9.07,-43.58,;-8.29,-42.25,;-6.76,-42.25,;-5.98,-40.91,;-6.76,-39.58,;-5.99,-38.24,;-6.76,-36.91,;-4.45,-38.24,)|
Structure:
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