Reaction Details Report a problem with these data
Target
Beta-2 adrenergic receptor
Ligand
BDBM50328301
Substrate
n/a
Meas. Tech.
ChEMBL_665492 (CHEMBL1261323)
Ki
14±n/a nM
Citation
 Tasler, S; Baumgartner, R; Ammendola, A; Schachtner, J; Wieber, T; Blisse, M; Rath, S; Zaja, M; Klahn, P; Quotschalla, U; Ney, P Thienopyrimidines asß3-adrenoceptor agonists: hit-to-lead optimization. Bioorg Med Chem Lett 20:6108-15 (2010) [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:
BDBM50328301
Synonyms:
4-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ylamino)propoxy)-2-(hydroxymethyl)phenol | CHEMBL1257555
Type:
Small organic molecule
Emp. Form.:
C27H30N4O4S
Mol. Mass.:
506.617
SMILES:
OCc1cc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)ccc1O
Structure:
Search PDB for entries with ligand similarity: