Reaction Details Report a problem with these data
Target
Beta-2 adrenergic receptor
Ligand
BDBM50502344
Substrate
n/a
Meas. Tech.
ChEMBL_1807431 (CHEMBL4306790)
Ki
900±n/a nM
Citation
 Hiesinger, K; Kramer, JS; Achenbach, J; Moser, D; Weber, J; Wittmann, SK; Morisseau, C; Angioni, C; Geisslinger, G; Kahnt, AS; Kaiser, A; Proschak, A; Steinhilber, D; Pogoryelov, D; Wagner, K; Hammock, BD; Proschak, E Computer-Aided Selective Optimization of Side Activities of Talinolol. ACS Med Chem Lett 10:899-903 (2019) [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:
BDBM50502344
Synonyms:
Talinolol
Type:
Small organic molecule
Emp. Form.:
C20H33N3O3
Mol. Mass.:
363.4943
SMILES:
CC(C)(C)NCC(O)COc1ccc(NC(=O)NC2CCCCC2)cc1
Structure:
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