Reaction Details Report a problem with these data
Target
Histamine receptor H3
Ligand
BDBM50139391
Substrate
n/a
Ki
3.89±n/a nM
Comments
PDSP_4079
Citation
 Esbenshade, TA; Fox, GB; Krueger, KM; Miller, TR; Kang, CH; Denny, LI; Witte, DG; Yao, BB; Pan, L; Wetter, J; Marsh, K; Bennani, YL; Cowart, MD; Sullivan, JP; Hancock, AA Pharmacological properties of ABT-239 [4-(2-{2-[(2R)-2-Methylpyrrolidinyl]ethyl}-benzofuran-5-yl)benzonitrile]: I. Potent and selective histamine H3 receptor antagonist with drug-like properties. J Pharmacol Exp Ther 313:165-75 (2005) [PubMed]  Article 
Target
Name:
Histamine receptor H3
Synonyms:
HISTAMINE H3 | HRH3
Type:
Enzyme Catalytic Domain
Mol. Mass.:
16901.59
Organism:
Dog
Description:
Q865E3
Residue:
147
Sequence:
FLLNLAISDFLVGAFCIPLYVPYVLTGRWPFSRGLCKLWLVVDYLLCTSSVFNIVLISYDRFLSVTRAVSYRAQQGDTRRAVQKMVLVWVLAFLLYGPAILSWEHLSGGSSIPEGHCYAEFFYNWYFLITASTLEFFTPFLSVTFFN
  
Inhibitor
Name:
BDBM50139391
Synonyms:
(R)-4-(2-(2-(2-methylpyrrolidin-1-yl)ethyl)benzofuran-5-yl)benzonitrile | 4-{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-yl}-benzonitrile | ABT-239 | CHEMBL351231
Type:
Small organic molecule
Emp. Form.:
C22H22N2O
Mol. Mass.:
330.4229
SMILES:
C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C#N |r|
Structure:
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