Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetBeta-2 adrenergic receptor
LigandBDBM50419682
Substrate/Competitorn/a
Meas. Tech.ChEMBL_800669 (CHEMBL1947791)
IC50 2±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:
BDBM50419682
n/a
NameBDBM50419682
Synonyms:CHEMBL1945041
TypeSmall organic molecule
Emp. Form.C25H26ClN3O3S
Mol. Mass.484.01
SMILESO[C@@H](CNCCc1cccc(CNCc2ccccc2Cl)c1)c1ccc(O)c2[nH]c(=O)sc12 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: