Reaction Details Report a problem with these data
Target
Beta-2 adrenergic receptor
Ligand
BDBM50037773
Substrate
n/a
Meas. Tech.
ChEMBL_1752844 (CHEMBL4187604)
Ki
43200±n/a nM
Citation
 Chevillard, F; Rimmer, H; Betti, C; Pardon, E; Ballet, S; van Hilten, N; Steyaert, J; Diederich, WE; Kolb, P Binding-Site Compatible Fragment Growing Applied to the Design of ? J Med Chem 61:1118-1129 (2018) [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:
BDBM50037773
Synonyms:
CHEMBL3358195
Type:
Small organic molecule
Emp. Form.:
C10H11NS
Mol. Mass.:
177.266
SMILES:
CNCc1cc2ccccc2s1
Structure:
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