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Target
Alpha-1A adrenergic receptor
Ligand
BDBM50417395
Substrate
n/a
Meas. Tech.
ChEMBL_686320 (CHEMBL1293076)
Ki
>2511.89±n/a nM
Citation
 Pizzi, DA; Leslie, CP; Mazzali, A; Seri, C; Biagetti, M; Bentley, J; Genski, T; Di Fabio, R; Contini, S; Sabbatini, FM; Zonzini, L; Caberlotto, L Design, synthesis and SAR of a novel series of benzimidazoles as potent NPY Y5 antagonists. Bioorg Med Chem Lett 20:7120-3 (2010) [PubMed]  Article 
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:
BDBM50417395
Synonyms:
CHEMBL1289715
Type:
Small organic molecule
Emp. Form.:
C21H19F3N4O3
Mol. Mass.:
432.3958
SMILES:
FC(F)(F)Oc1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2cccnc2)CC1 |r,wU:17.24,wD:14.15,(-12.77,-33.88,;-11.41,-34.62,;-10.09,-33.81,;-11.37,-33.07,;-11.39,-36.15,;-10.02,-36.89,;-9.99,-38.43,;-8.64,-39.17,;-7.32,-38.37,;-5.84,-38.81,;-4.96,-37.54,;-5.9,-36.31,;-7.36,-36.82,;-8.71,-36.09,;-3.42,-37.51,;-2.63,-38.83,;-1.09,-38.79,;-.35,-37.45,;.7,-36.31,;2.09,-36.95,;1.92,-38.48,;3.05,-39.52,;.41,-38.78,;3.43,-36.2,;4.75,-36.99,;6.09,-36.23,;6.11,-34.69,;4.78,-33.91,;3.44,-34.67,;-1.15,-36.13,;-2.69,-36.16,)|
Structure:
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