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Target
Alpha-1D adrenergic receptor
Ligand
BDBM50213525
Substrate
n/a
Meas. Tech.
ChEMBL_450224 (CHEMBL900499)
Ki
2.2±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-1D adrenergic receptor
Synonyms:
ADA1D_HUMAN | ADRA1A | ADRA1D | Adrenergic receptor | Adrenergic receptor alpha | Alpha 1D-adrenoceptor | Alpha 1D-adrenoreceptor | Alpha adrenergic receptor (1a and 1d) | Alpha-1D adrenoceptor | Alpha-adrenergic receptor 1a | adrenergic Alpha1D
Type:
Enzyme Catalytic Domain
Mol. Mass.:
60485.82
Organism:
Homo sapiens (Human)
Description:
adrenergic Alpha1D ADRA1D HUMAN::P25100
Residue:
572
Sequence:
MTFRDLLSVSFEGPRPDSSAGGSSAGGGGGSAGGAAPSEGPAVGGVPGGAGGGGGVVGAGSGEDNRSSAGEPGSAGAGGDVNGTAAVGGLVVSAQGVGVGVFLAAFILMAVAGNLLVILSVACNRHLQTVTNYFIVNLAVADLLLSATVLPFSATMEVLGFWAFGRAFCDVWAAVDVLCCTASILSLCTISVDRYVGVRHSLKYPAIMTERKAAAILALLWVVALVVSVGPLLGWKEPVPPDERFCGITEEAGYAVFSSVCSFYLPMAVIVVMYCRVYVVARSTTRSLEAGVKRERGKASEVVLRIHCRGAATGADGAHGMRSAKGHTFRSSLSVRLLKFSREKKAAKTLAIVVGVFVLCWFPFFFVLPLGSLFPQLKPSEGVFKVIFWLGYFNSCVNPLIYPCSSREFKRAFLRLLRCQCRRRRRRRPLWRVYGHHWRASTSGLRQDCAPSSGDAPPGAPLALTALPDPDPEPPGTPEMQAPVASRRKPPSAFREWRLLGPFRRPTTQLRAKVSSLSHKIRAGGAQRAEAACAQRSEVEAVSLGVPHEVAEGATCQAYELADYSNLRETDI
  
Inhibitor
Name:
BDBM50213525
Synonyms:
3,4-dimethoxy-N-((1s,4s)-4-(4-(2-(2,2,2-trifluoroethoxy)phenyl)piperidin-1-yl)cyclohexyl)benzenesulfonamide | CHEMBL228334
Type:
Small organic molecule
Emp. Form.:
C27H35F3N2O5S
Mol. Mass.:
556.637
SMILES:
COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CC1)N1CCC(CC1)c1ccccc1OCC(F)(F)F |wU:17.21,14.14,(10.65,-7.4,;9.11,-7.39,;8.33,-8.72,;6.77,-8.72,;6,-10.07,;6.76,-11.39,;8.32,-11.39,;9.08,-10.07,;10.62,-10.08,;11.38,-11.42,;5.99,-12.74,;4.67,-11.97,;7.35,-13.51,;5.23,-14.04,;3.66,-14.04,;2.9,-15.36,;1.38,-15.36,;.6,-14.01,;1.37,-12.69,;2.9,-12.73,;-.96,-14.01,;-1.73,-15.34,;-3.26,-15.34,;-4.03,-13.99,;-3.26,-12.66,;-1.73,-12.69,;-5.59,-13.99,;-6.36,-15.33,;-7.9,-15.33,;-8.67,-13.98,;-7.89,-12.66,;-6.36,-12.66,;-5.59,-11.31,;-6.36,-9.98,;-5.59,-8.65,;-4.83,-7.3,;-4.25,-9.41,;-6.93,-7.89,)|
Structure:
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