Reaction Details Report a problem with these data
Target
Alpha-1A adrenergic receptor
Ligand
BDBM50417393
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:
BDBM50417393
Synonyms:
CHEMBL1289610
Type:
Small organic molecule
Emp. Form.:
C22H21F3N4O3
Mol. Mass.:
446.4223
SMILES:
Cc1ncccc1N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(OC(F)(F)F)cc3[nH]2)OC1=O |r,wU:9.32,wD:12.16,(21.92,-28.06,;23.25,-28.84,;24.59,-28.08,;25.92,-28.86,;25.9,-30.4,;24.56,-31.16,;23.24,-30.37,;21.9,-31.12,;20.5,-30.48,;19.46,-31.62,;18.71,-32.97,;17.18,-33,;16.38,-31.68,;17.11,-30.33,;18.66,-30.3,;14.85,-31.71,;13.97,-32.98,;12.48,-32.54,;11.17,-33.34,;9.81,-32.61,;9.78,-31.06,;8.43,-30.32,;8.39,-28.78,;7.04,-28.05,;9.71,-27.98,;8.43,-27.24,;11.09,-30.26,;12.44,-30.99,;13.91,-30.48,;20.22,-32.95,;21.73,-32.65,;22.86,-33.7,)|
Structure:
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