Reaction Details Report a problem with these data
Target
Alpha-1A adrenergic receptor
Ligand
BDBM50064578
Substrate
n/a
Meas. Tech.
ChEMBL_33583 (CHEMBL647134)
IC50
0.82±n/a nM
Citation
 Taverne, T; Diouf, O; Depreux, P; Poupaert, JH; Lesieur, D; Guardiola-Lemaître, B; Renard, P; Rettori, MC; Caignard, DH; Pfeiffer, B Novel benzothiazolin-2-one and benzoxazin-3-one arylpiperazine derivatives with mixed 5HT1A/D2 affinity as potential atypical antipsychotics. J Med Chem 41:2010-8 (1998) [PubMed]  Article 
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:
BDBM50064578
Synonyms:
6-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-3H-benzothiazol-2-one | CHEMBL64878
Type:
Small organic molecule
Emp. Form.:
C22H27N3O2S
Mol. Mass.:
397.534
SMILES:
COc1ccccc1N1CCN(CCCCc2ccc3[nH]c(=O)sc3c2)CC1
Structure:
Search PDB for entries with ligand similarity: