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Target
Beta-2 adrenergic receptor
Ligand
BDBM50077647
Substrate
n/a
Meas. Tech.
ChEMBL_651475 (CHEMBL1227592)
Ki
5±n/a nM
Citation
 Beattie, D; Bradley, M; Brearley, A; Charlton, SJ; Cuenoud, BM; Fairhurst, RA; Gedeck, P; Gosling, M; Janus, D; Jones, D; Lewis, C; McCarthy, C; Oakman, H; Stringer, R; Taylor, RJ; Tuffnell, A A physical properties based approach for the exploration of a 4-hydroxybenzothiazolone series of beta2-adrenoceptor agonists as inhaled long-acting bronchodilators. Bioorg Med Chem Lett 20:5302-7 (2010) [PubMed]  Article 
Target
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:
MGQPGNGSAFLLAPNGSHAPDHDVTQERDEVWVVGMGIVMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGAAHILMKMWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYFAITSPFKYQSLLTKNKARVIILMVWIVSGLTSFLPIQMHWYRATHQEAINCYANETCCDFFTNQAYAIASSIVSFYVPLVIMVFVYSRVFQEAKRQLQKIDKSEGRFHVQNLSQVEQDGRTGHGLRRSSKFCLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIQDNLIRKEVYILLNWIGYVNSGFNPLIYCRSPDFRIAFQELLCLRRSSLKAYGNGYSSNGNTGEQSGYHVEQEKENKLLCEDLPGTEDFVGHQGTVPSDNIDSQGRNCSTNDSLL
  
Inhibitor
Name:
BDBM50077647
Synonyms:
4-Hydroxy-7-(1-hydroxy-2-methylamino-ethyl)-3H-benzothiazol-2-one | 4-hydroxy-7-(1-hydroxy-2-(methylamino)ethyl)benzo[d]thiazol-2(3H)-one | CHEMBL29141
Type:
Small organic molecule
Emp. Form.:
C10H12N2O3S
Mol. Mass.:
240.279
SMILES:
CNCC(O)c1ccc(O)c2[nH]c(=O)sc12
Structure:
Search PDB for entries with ligand similarity: