Reaction Details Report a problem with these data
Target
Beta-2 adrenergic receptor
Ligand
BDBM50232765
Substrate
n/a
Meas. Tech.
ChEMBL_1648532 (CHEMBL3997588)
Ki
9.0±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:
BDBM50232765
Synonyms:
CHEMBL4099306
Type:
Small organic molecule
Emp. Form.:
C18H27NO5
Mol. Mass.:
337.4107
SMILES:
CCOC(=O)C1Oc2cccc(OCC(O)CNC(C)C)c2C1C
Structure:
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