Reaction Details Report a problem with these data
Target
Alpha-1A adrenergic receptor
Ligand
BDBM50091349
Substrate
n/a
Meas. Tech.
ChEMBL_1497770 (CHEMBL3583290)
Ki
4.7±n/a nM
Citation
 Zhang, W; Ma, Z; Li, W; Li, G; Chen, L; Liu, Z; Du, L; Li, M Discovery of Quinazoline-Based Fluorescent Probes toa1-Adrenergic Receptors. ACS Med Chem Lett 6:502-6 (2015) [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:
BDBM50091349
Synonyms:
CHEMBL3582271
Type:
Small organic molecule
Emp. Form.:
C35H30N6O7S
Mol. Mass.:
678.714
SMILES:
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12 |(6.4,-19.42,;5.33,-20.04,;4,-19.27,;3.99,-17.71,;2.66,-16.94,;2.67,-15.4,;1.34,-14.63,;.01,-15.4,;0,-16.94,;-1.07,-17.55,;1.33,-17.71,;1.33,-19.24,;2.67,-20.03,;2.66,-21.57,;1.59,-22.18,;1.34,-13.09,;.01,-12.32,;.01,-10.78,;1.34,-10.01,;2.67,-10.78,;2.67,-12.32,;1.34,-8.47,;2.41,-7.85,;0,-7.7,;0,-6.16,;-1.33,-5.39,;-1.33,-3.85,;0,-3.08,;1.34,-3.85,;1.34,-5.39,;2.67,-3.09,;2.68,-2.06,;3.74,-3.7,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.07,1.39,;2.67,1.54,;1.31,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.07,1.39,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,)|
Structure:
Search PDB for entries with ligand similarity: