Reaction Details Report a problem with these data
Target
Alpha-1D adrenergic receptor
Ligand
BDBM50213537
Substrate
n/a
Meas. Tech.
ChEMBL_450224 (CHEMBL900499)
Ki
23±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:
BDBM50213537
Synonyms:
3,4-dimethoxy-N-((1r,4r)-4-(4-(2-(2,2,2-trifluoroethoxy)phenyl)piperidin-1-yl)cyclohexyl)benzenesulfonamide | CHEMBL228389
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,wD:14.14,(31.88,-7.8,;30.34,-7.79,;29.56,-9.12,;28,-9.12,;27.23,-10.47,;27.99,-11.79,;29.55,-11.79,;30.32,-10.47,;31.86,-10.48,;32.62,-11.82,;27.22,-13.13,;25.9,-12.37,;28.58,-13.91,;26.47,-14.44,;24.89,-14.44,;24.14,-13.13,;22.6,-13.09,;21.84,-14.41,;22.61,-15.76,;24.13,-15.76,;20.27,-14.41,;19.5,-15.73,;17.98,-15.73,;17.2,-14.39,;17.97,-13.06,;19.51,-13.09,;15.65,-14.39,;14.87,-15.72,;13.33,-15.72,;12.56,-14.38,;13.35,-13.06,;14.87,-13.06,;15.65,-11.71,;14.88,-10.38,;15.64,-9.04,;16.4,-7.7,;16.98,-9.81,;14.31,-8.28,)|
Structure:
Search PDB for entries with ligand similarity: