Reaction Details Report a problem with these data
Target
Beta-2 adrenergic receptor
Ligand
BDBM50213108
Substrate
n/a
Meas. Tech.
ChEMBL_436827 (CHEMBL905129)
Ki
3000±n/a nM
Citation
 Jozwiak, K; Khalid, C; Tanga, MJ; Berzetei-Gurske, I; Jimenez, L; Kozocas, JA; Woo, A; Zhu, W; Xiao, RP; Abernethy, DR; Wainer, IW Comparative molecular field analysis of the binding of the stereoisomers of fenoterol and fenoterol derivatives to the beta2 adrenergic receptor. J Med Chem 50:2903-15 (2007) [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:
BDBM50213108
Synonyms:
(R,R)-(-)-5-{2-[2-(4-aminophenyl)-1-methylethylamino]-1-hydroxyethyl}-1,3-benzenediol | CHEMBL389629 | US10617654, Compound (R,R)-3 | US9492405, (R,R)-3 | US9492405, 9
Type:
Small organic molecule
Emp. Form.:
C17H21NO3
Mol. Mass.:
287.3535
SMILES:
C[C@H](Cc1ccccc1)NC[C@H](O)c1cc(O)cc(O)c1
Structure:
Search PDB for entries with ligand similarity: