Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetBeta-2 adrenergic receptor
LigandBDBM50419687
Substrate/Competitorn/a
Meas. Tech.ChEMBL_800669 (CHEMBL1947791)
IC50 0.794328±n/a nM
Citation Alcaraz, LBailey, ACadogan, EConnolly, SJewell, RJordan, SKindon, NLister, ALawson, MMullen, ADainty, INicholls, DPaine, SPairaudeau, GStocks, MJThorne, PYoung, A From libraries to candidate: the discovery of new ultra long-acting dibasicß2-adrenoceptor agonists. Bioorg Med Chem Lett22:689-95 (2011) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Beta-2 adrenergic receptor
Name:Beta-2 adrenergic receptor
Synonyms:ADRB2 | ADRB2R | ADRB2_HUMAN | B2AR | Beta-2 adrenoceptor | Beta-2 adrenoreceptor
Type:n/a
Mol. Mass.:46461.69
Organism:Homo sapiens (Human)
Description:P07550
Residue:413
Sequence:
MGQPGNGSAFLLAPNGSHAPDHDVTQERDEVWVVGMGIVMSLIVLAIVFGNVLVITAIAK
FERLQTVTNYFITSLACADLVMGLAVVPFGAAHILMKMWTFGNFWCEFWTSIDVLCVTAS
IETLCVIAVDRYFAITSPFKYQSLLTKNKARVIILMVWIVSGLTSFLPIQMHWYRATHQE
AINCYANETCCDFFTNQAYAIASSIVSFYVPLVIMVFVYSRVFQEAKRQLQKIDKSEGRF
HVQNLSQVEQDGRTGHGLRRSSKFCLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIQD
NLIRKEVYILLNWIGYVNSGFNPLIYCRSPDFRIAFQELLCLRRSSLKAYGNGYSSNGNT
GEQSGYHVEQEKENKLLCEDLPGTEDFVGHQGTVPSDNIDSQGRNCSTNDSLL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50419687
n/a
NameBDBM50419687
Synonyms:CHEMBL1947151
TypeSmall organic molecule
Emp. Form.C32H33N3O2S
Mol. Mass.523.688
SMILESC[C@@H](NCc1ccccc1-c1ccc(CCNCCc2ccc(O)c3[nH]c(=O)sc23)cc1)c1ccccc1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: