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Target
Beta-2 adrenergic receptor
Ligand
BDBM50116766
Substrate
n/a
Meas. Tech.
ChEMBL_1904397 (CHEMBL4406619)
Ki
>10000±n/a nM
Citation
 Moritz, AE; Free, RB; Weiner, WS; Akano, EO; Gandhi, D; Abramyan, A; Keck, TM; Ferrer, M; Hu, X; Southall, N; Steiner, J; Aubé, J; Shi, L; Frankowski, KJ; Sibley, DR Discovery, Optimization, and Characterization of ML417: A Novel and Highly Selective D J Med Chem 63:5526-5567 (2020) [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:
BDBM50116766
Synonyms:
(-)-Pramipexole | (6S)-N(6)-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine | 2,6-Benzothiazolediamine, 4,5,6,7-tetrahydro-N(sup 6)-propyl-, (S)- | CHEMBL301265 | PRAMIPEXOLE | cid_119570
Type:
Small organic molecule
Emp. Form.:
C10H17N3S
Mol. Mass.:
211.327
SMILES:
CCCN[C@H]1CCc2nc(N)sc2C1 |r|
Structure:
Search PDB for entries with ligand similarity: