Reaction Details Report a problem with these data
Target
Beta-2 adrenergic receptor
Ligand
BDBM50214226
Substrate
n/a
Meas. Tech.
ChEMBL_456298 (CHEMBL888309)
Ki
200±n/a nM
Citation
Washburn, WN; Harper, TW; Wu, G; Godfrey, JD; McCann, P; Girotra, R; Shao, C; Zhang, H; Gavai, A; Mikkilineni, A; Dejneka, T; Ahmed, S; Caringal, Y; Hangeland, J; Zhang, M; Cheng, PT; Russell, AD; Skwish, S; Slusarchyk, DA; Allen, GT; Frohlich, BH; Abboa-Offei, BE; Cap, M; Waldron, TL; George, RJ; Tesfamariam, B; Dickinson, KE; Seymour, AA; Sher, PM Arylpropanolamines: selective beta3 agonists arising from strategies to mitigate phase I metabolic transformations. Bioorg Med Chem Lett 17:4290-6 (2007) [PubMed] Article
More Info.:
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:
BDBM50214226
Synonyms:
CHEMBL251554 | N-(2-hydroxy-5-((R)-2-hydroxy-3-((S)-1-(3-methoxyphenyl)-3-phenylpropylamino)propyl)phenyl)methanesulfonamide
Type:
Small organic molecule
Emp. Form.:
C26H32N2O5S
Mol. Mass.:
484.608
SMILES:
COc1cccc(c1)[C@H](CCc1ccccc1)NC[C@H](O)Cc1ccc(O)c(NS(C)(=O)=O)c1