Reaction Details Report a problem with these data
Target
Alpha-1A adrenergic receptor
Ligand
BDBM50082882
Substrate
n/a
Meas. Tech.
ChEMBL_33605 (CHEMBL876765)
Ki
20±n/a nM
Citation
Wong, WC; Sun, W; Lagu, B; Tian, D; Marzabadi, MR; Zhang, F; Nagarathnam, D; Miao, SW; Wetzel, JM; Peng, J; Forray, C; Chang, RS; Chen, TB; Ransom, R; O'Malley, S; Broten, TP; Kling, P; Vyas, KP; Zhang, K; Gluchowski, C Design and synthesis of novel alpha(1)(a) adrenoceptor-selective antagonists. 4. Structure-activity relationship in the dihydropyrimidine series. J Med Chem 42:4804-13 (1999) [PubMed] Article
More Info.:
Target
Name:
Alpha-1A adrenergic receptor
Synonyms:
ADA1A_HUMAN | ADRA1A | ADRA1C | Adrenergic alpha1A | Alpha 1A-adrenoceptor | Alpha 1A-adrenoreceptor | Alpha adrenergic receptor 1a | Alpha-1C adrenergic receptor | Alpha-adrenergic receptor 1c | Cerebral cortex alpha adrenergic receptor | adrenergic Alpha1 | adrenergic Alpha1C
Type:
Cell-surface receptors
Mol. Mass.:
51511.67
Organism:
Homo sapiens (Human)
Description:
P35348
Residue:
466
Sequence:
MVFLSGNASDSSNCTQPPAPVNISKAILLGVILGGLILFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEVLGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGLMALLCVWALSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYLPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNAPAGGSGMASAKTKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLCRKQSSKHALGYTLHPPSQAVEGQHKDMVRIPVGSRETFYRISKTDGVCEWKFFSSMPRGSARITVSKDQSSCTTARVRSKSFLQVCCCVGPSTPSLDKNHQVPTIKVHTISLSENGEEV
Inhibitor
Name:
BDBM50082882
Synonyms:
1-{(R)-5-[4-(2-Carbamoyl-phenyl)-piperazin-1-yl]-4-methyl-pentyl}-6-(3,4-difluoro-phenyl)-2,4-dimethyl-1,6-dihydro-pyrimidine-5-carboxylic acid methyl ester | CHEMBL342347
Type:
Small organic molecule
Emp. Form.:
C31H39F2N5O3
Mol. Mass.:
567.6699
SMILES:
COC(=O)C1=C(C)N=C(C)N(CCC[C@@H](C)CN2CCN(CC2)c2ccccc2C(N)=O)C1c1ccc(F)c(F)c1 |c:4,t:7|