Reaction Details
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Alpha-1A adrenergic receptor
Ligand
BDBM50302536
Substrate
n/a
Meas. Tech.
ChEMBL_597655 (CHEMBL1039954)
IC50
2440000±n/a nM
Citation
Wakimoto, T; Nitta, M; Kasahara, K; Chiba, T; Ye, Y; Tsuji, K; Kan, T; Nukaya, H; Ishiguro, M; Koike, M; Yokoo, Y; Suwa, Y Structure-activity relationship study on alpha1 adrenergic receptor antagonists from beer. Bioorg Med Chem Lett 19:5905-8 (2009) [PubMed] Article More Info.:
Target
Name:
Alpha-1A adrenergic receptor
Synonyms:
ADA1A_RAT | Adra1a | Adra1c | Alpha-1 adrenoreceptor | Alpha-1A adrenoceptor | Alpha-1A adrenoreceptor | Alpha-1C adrenergic receptor | adrenergic Alpha1A
Type:
Protein
Mol. Mass.:
51620.15
Organism:
Rattus norvegicus (Rat)
Description:
P43140
Residue:
466
Sequence:
MVLLSENASEGSNCTHPPAPVNISKAILLGVILGGLIIFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEILGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGVRALLCVWVLSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYVPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNVPAEGGGVSSAKNKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLRRRQSSKHALGYTLHPPSQALEGQHRDMVRIPVGSGETFYKISKTDGVCEWKFFSSMPQGSARITVPKDQSACTTARVRSKSFLQVCCCVGSSAPRPEENHQVPTIKIHTISLGENGEEV
Inhibitor
Name:
BDBM50302536
Synonyms:
(2S,3R)-N-(4-guanidinobutyl)-5-(3-(4-guanidinobutylamino)-3-oxoprop-1-enyl)-2-(4-hydroxyphenyl)-2,3-dihydrobenzofuran-3-carboxamide | CHEMBL568182
Type:
Small organic molecule
Emp. Form.:
C28H38N8O4
Mol. Mass.:
550.6525
SMILES:
[#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)-[#6]=[#6]-c1ccc2-[#8]-[#6@@H](-[#6@H](-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-c2c1)-c1ccc(-[#8])cc1 |r,w:12.12|
Structure:
