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Target
Alpha-1A adrenergic receptor
Ligand
BDBM50417408
Substrate
n/a
Meas. Tech.
ChEMBL_686320 (CHEMBL1293076)
Ki
1995.26±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:
BDBM50417408
Synonyms:
CHEMBL1289503
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)c2ccccn2)CC1 |r,wU:17.24,wD:14.15,(27.51,-20,;28.86,-20.74,;30.17,-19.93,;28.9,-19.19,;28.9,-22.27,;30.25,-23.01,;30.28,-24.56,;31.63,-25.29,;32.95,-24.49,;34.43,-24.93,;35.31,-23.66,;34.37,-22.43,;32.91,-22.94,;31.56,-22.21,;36.84,-23.63,;37.64,-24.95,;39.18,-24.92,;39.92,-23.57,;40.97,-22.43,;42.36,-23.07,;42.19,-24.6,;43.32,-25.65,;40.68,-24.9,;43.7,-22.32,;45.02,-23.11,;46.36,-22.36,;46.38,-20.81,;45.05,-20.03,;43.71,-20.79,;39.12,-22.25,;37.58,-22.28,)|
Structure:
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