Reaction Details Report a problem with these data
Target
Alpha-1A adrenergic receptor
Ligand
BDBM50417405
Substrate
n/a
Meas. Tech.
ChEMBL_686320 (CHEMBL1293076)
Ki
1258.93±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:
BDBM50417405
Synonyms:
CHEMBL1289267
Type:
Small organic molecule
Emp. Form.:
C22H20F3N3O3
Mol. Mass.:
431.4077
SMILES:
FC(F)(F)Oc1ccc2nc([nH]c2c1)[C@H]1CC[C@@]2(CN(C(=O)O2)c2ccccc2)CC1 |r,wU:17.24,wD:14.15,(-14.1,-12.22,;-12.74,-12.96,;-11.43,-12.16,;-12.7,-11.42,;-12.72,-14.5,;-11.36,-15.24,;-11.32,-16.78,;-9.97,-17.52,;-8.66,-16.71,;-7.17,-17.16,;-6.29,-15.88,;-7.23,-14.65,;-8.69,-15.17,;-10.04,-14.44,;-4.76,-15.85,;-3.96,-17.17,;-2.43,-17.14,;-1.69,-15.79,;-.64,-14.66,;.76,-15.3,;.58,-16.83,;1.71,-17.87,;-.93,-17.13,;2.09,-14.55,;3.41,-15.33,;4.75,-14.58,;4.77,-13.04,;3.44,-12.26,;2.1,-13.01,;-2.48,-14.47,;-4.03,-14.5,)|
Structure:
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