Target
Alpha-1B adrenergic receptor
Ligand
BDBM50412779
Substrate
n/a
Meas. Tech.
ChEMBL_539781 (CHEMBL1034999)
Ki
281.84±n/a nM
Citation
 Quaglia, WPiergentili, ADel Bello, FFarande, YGiannella, MPigini, MRafaiani, GCarrieri, AAmantini, CLucciarini, RSantoni, GPoggesi, ELeonardi, A Structure-activity relationships in 1,4-benzodioxan-related compounds. 9. From 1,4-benzodioxane to 1,4-dioxane ring as a promising template of novel alpha1D-adrenoreceptor antagonists, 5-HT1A full agonists, and cytotoxic agents. J Med Chem 51:6359-70 (2008) [PubMed]  Article 
Target
Name:
Alpha-1B adrenergic receptor
Synonyms:
ADA1B_HUMAN | ADRA1B | Adrenergic alpha1B | Adrenergic receptor | Adrenergic receptor alpha | Alpha 1B-adrenoceptor | Alpha 1B-adrenoreceptor | Alpha-1B adrenergic receptor
Type:
Enzyme
Mol. Mass.:
56862.13
Organism:
Homo sapiens (Human)
Description:
P35368
Residue:
520
Sequence:
MNPDLDTGHNTSAPAHWGELKNANFTGPNQTSSNSTLPQLDITRAISVGLVLGAFILFAIVGNILVILSVACNRHLRTPTNYFIVNLAMADLLLSFTVLPFSAALEVLGYWVLGRIFCDIWAAVDVLCCTASILSLCAISIDRYIGVRYSLQYPTLVTRRKAILALLSVWVLSTVISIGPLLGWKEPAPNDDKECGVTEEPFYALFSSLGSFYIPLAVILVMYCRVYIVAKRTTKNLEAGVMKEMSNSKELTLRIHSKNFHEDTLSSTKAKGHNPRSSIAVKLFKFSREKKAAKTLGIVVGMFILCWLPFFIALPLGSLFSTLKPPDAVFKVVFWLGYFNSCLNPIIYPCSSKEFKRAFVRILGCQCRGRGRRRRRRRRRLGGCAYTYRPWTRGGSLERSQSRKDSLDDSGSCLSGSQRTLPSASPSPGYLGRGAPPPVELCAFPEWKAPGALLSLPAPEPPGRRGRHDSGPLFTFKLLTEPESPGTDGGASNGGCEAAADVANGQPGFKSNMPLAPGQF
  
Inhibitor
Name:
BDBM50412779
Synonyms:
CHEMBL494908
Type:
Small organic molecule
Emp. Form.:
C20H25NO4
Mol. Mass.:
343.4168
SMILES:
COc1ccccc1OCCNC[C@@H]1CO[C@H](CO1)c1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity: