Reaction Details Report a problem with these data
Target
Beta-2 adrenergic receptor
Ligand
BDBM50389826
Substrate
n/a
Meas. Tech.
ChEMBL_834830 (CHEMBL2073147)
Ki
39811±n/a nM
Citation
 Sanders, MP; Roumen, L; van der Horst, E; Lane, JR; Vischer, HF; van Offenbeek, J; de Vries, H; Verhoeven, S; Chow, KY; Verkaar, F; Beukers, MW; McGuire, R; Leurs, R; Ijzerman, AP; de Vlieg, J; de Esch, IJ; Zaman, GJ; Klomp, JP; Bender, A; de Graaf, C A prospective cross-screening study on G-protein-coupled receptors: lessons learned in virtual compound library design. J Med Chem 55:5311-25 (2012) [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:
BDBM50389826
Synonyms:
CHEMBL1620339
Type:
Small organic molecule
Emp. Form.:
C19H32N2O3
Mol. Mass.:
336.469
SMILES:
CC(C)c1ccc(C)cc1OCC(O)CN1CCN(CCO)CC1
Structure:
Search PDB for entries with ligand similarity: