Reaction Details Report a problem with these data
Target
Beta-2 adrenergic receptor
Ligand
BDBM50232766
Substrate
n/a
Meas. Tech.
ChEMBL_1648530 (CHEMBL3997586)
Kd
0.035±n/a nM
Citation
 Schmidt, D; Gunera, J; Baker, JG; Kolb, P Similarity- and Substructure-Based Development of฿ ACS Med Chem Lett 8:481-485 (2017) [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:
BDBM50232766
Synonyms:
Berlafenone
Type:
Small organic molecule
Emp. Form.:
C19H25NO2
Mol. Mass.:
299.4073
SMILES:
CC(C)(C)NCC(O)COc1ccccc1-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: