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Target
Alpha-1A adrenergic receptor
Ligand
BDBM50417403
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:
BDBM50417403
Synonyms:
CHEMBL1290038
Type:
Small organic molecule
Emp. Form.:
C22H19FN4O2
Mol. Mass.:
390.4103
SMILES:
Fc1ccc(cc1)N1C[C@@]2(CC[C@@H](CC2)c2nc3ccc(cc3[nH]2)C#N)OC1=O |r,wU:9.29,wD:12.16,(8.45,-40.09,;7.11,-40.85,;7.09,-42.39,;5.75,-43.14,;4.42,-42.35,;4.44,-40.82,;5.77,-40.06,;3.09,-43.11,;1.69,-42.46,;.65,-43.6,;-.1,-44.95,;-1.63,-44.98,;-2.43,-43.66,;-1.7,-42.31,;-.15,-42.28,;-3.96,-43.69,;-4.85,-44.97,;-6.33,-44.52,;-7.64,-45.33,;-8.99,-44.59,;-9.03,-43.05,;-7.72,-42.24,;-6.37,-42.98,;-4.9,-42.46,;-10.38,-42.31,;-11.72,-41.54,;1.41,-44.94,;2.91,-44.64,;4.05,-45.68,)|
Structure:
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