Reaction Details Report a problem with these data
Target
Alpha-1A adrenergic receptor
Ligand
BDBM50417397
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:
BDBM50417397
Synonyms:
CHEMBL1290147
Type:
Small organic molecule
Emp. Form.:
C21H19N5O2
Mol. Mass.:
373.4079
SMILES:
O=C1O[C@@]2(CN1c1ccccn1)CC[C@@H](CC2)c1nc2ccc(cc2[nH]1)C#N |r,wU:3.2,wD:14.19,(25.34,-47.26,;24.21,-46.22,;22.7,-46.52,;21.94,-45.18,;22.99,-44.05,;24.39,-44.69,;25.72,-43.94,;27.05,-44.72,;28.39,-43.97,;28.4,-42.43,;27.07,-41.65,;25.74,-42.4,;21.2,-46.53,;19.67,-46.56,;18.87,-45.25,;19.6,-43.89,;21.15,-43.86,;17.33,-45.27,;16.45,-46.55,;14.97,-46.11,;13.66,-46.91,;12.31,-46.17,;12.27,-44.63,;13.58,-43.83,;14.93,-44.56,;16.39,-44.04,;10.92,-43.89,;9.58,-43.12,)|
Structure:
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