Reaction Details Report a problem with these data
Target
Beta-2 adrenergic receptor
Ligand
BDBM50274013
Substrate
n/a
Meas. Tech.
ChEMBL_756374 (CHEMBL1805400)
Ki
0.300000±n/a nM
Citation
 Congreve, M; Langmead, CJ; Mason, JS; Marshall, FH Progress in structure based drug design for G protein-coupled receptors. J Med Chem 54:4283-311 (2011) [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:
BDBM50274013
Synonyms:
1-(4-benzhydrylpiperazin-1-yl)-3-(3-methyl-1H-indol-4-yloxy)propan-2-ol | CHEMBL461463
Type:
Small organic molecule
Emp. Form.:
C29H33N3O2
Mol. Mass.:
455.5912
SMILES:
Cc1c[nH]c2cccc(OCC(O)CN3CCN(CC3)C(c3ccccc3)c3ccccc3)c12
Structure:
Search PDB for entries with ligand similarity: