Reaction Details Report a problem with these data
Target
Alpha-1A adrenergic receptor
Ligand
BDBM69602
Substrate
n/a
Meas. Tech.
ChEMBL_33586 (CHEMBL647137)
Ki
0.62±n/a nM
Citation
Quaglia, W; Pigini, M; Tayebati, SK; Piergentili, A; Giannella, M; Leonardi, A; Taddei, C; Melchiorre, C Synthesis, absolute configuration, and biological profile of the enantiomers of trans-[2-(2,6-dimethoxyphenoxy)ethyl] [(3-p-tolyl-2,3-dihydro-1,4-benzodioxin-2-yl)methyl]amine (mephendioxan), a potent competitive alpha 1A-adrenoreceptor antagonist. J Med Chem 39:2253-8 (1996) [PubMed] Article
More Info.:
Target
Name:
Alpha-1A adrenergic receptor
Synonyms:
ADA1A_BOVIN | ADRA1A | ADRA1C | Alpha 1A-adrenoceptor | Alpha 1A-adrenoreceptor | Alpha-1C adrenergic receptor | Cerebral cortex alpha adrenergic receptor | adrenergic Alpha1
Type:
Enzyme Catalytic Domain
Mol. Mass.:
51492.08
Organism:
CALF
Description:
adrenergic Alpha1 0 CALF
Residue:
466
Sequence:
MVFLSGNASDSSNCTHPPPPVNISKAILLGVILGGLILFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEILGYWAFGRVFCNVWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQKRGLMALLCVWALSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYVPLTIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNAQVGGSGVTSAKNKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFRPSETVFKIAFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLRRKQSSKHTLGYTLHAPSHVLEGQHKDLVRIPVGSAETFYKISKTDGVCEWKIFSSLPRGSARMAVARDPSACTTARVRSKSFLQVCCCLGPSTPSHGENHQIPTIKIHTISLSENGEEV
Inhibitor
Name:
BDBM69602
Synonyms:
2,3-dihydro-1,4-benzodioxin-3-ylmethyl-[2-(2,6-dimethoxyphenoxy)ethyl]amine;hydrochloride | CHEMBL25554 | MLS000859914 | N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine;hydrochloride | SMR000326775 | WB-4101 | WB-4101 hydrochloride | cid_11957505
Type:
Small organic molecule
Emp. Form.:
C19H23NO5
Mol. Mass.:
345.3896
SMILES:
COc1cccc(OC)c1OCCNCC1COc2ccccc2O1