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Target
Alpha-1D adrenergic receptor
Ligand
BDBM50356605
Substrate
n/a
Meas. Tech.
ChEMBL_774870 (CHEMBL1913212)
Ki
27±n/a nM
Citation
 Al Hussainy, R; Verbeek, J; van der Born, D; Booij, J; Herscheid, JK Design, synthesis and in vitro evaluation of bridgehead fluoromethyl analogs of N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}-N-(pyridin-2-yl)cyclohexanecarboxamide (WAY-100635) for the 5-HT(1A) receptor. Eur J Med Chem 46:5728-35 (2011) [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:
BDBM50356605
Synonyms:
CHEMBL1910139
Type:
Small organic molecule
Emp. Form.:
C28H31FN4O2
Mol. Mass.:
474.5697
SMILES:
COc1ccccc1N1CCN(CCN(C(=O)C23C4C5C2C2C3C4C52CF)c2ccccn2)CC1 |(35.86,-1.26,;36.63,.07,;35.86,1.4,;34.32,1.4,;33.55,2.73,;34.32,4.06,;35.86,4.06,;36.63,2.73,;38.16,2.73,;38.93,1.4,;40.47,1.4,;41.24,2.73,;42.78,2.73,;43.54,4.06,;45.08,4.06,;45.85,2.73,;45.08,1.4,;47.39,2.73,;47.96,2.27,;47.96,.33,;47.39,.77,;49.32,.9,;49.31,2.86,;49.89,2.42,;49.89,.46,;51.42,.46,;52.19,-.87,;45.85,5.39,;45.08,6.73,;45.85,8.06,;47.39,8.06,;48.16,6.73,;47.39,5.39,;40.47,4.06,;38.93,4.06,)|
Structure:
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