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Target
Neuronal acetylcholine receptor subunit alpha-4
Ligand
BDBM50201064
Substrate
n/a
Meas. Tech.
ChEMBL_558727 (CHEMBL954129)
EC50
6.17±n/a nM
Citation
 Ye, M; Dawson, MI 3D-QSAR and QSSR studies of 3,8-diazabicyclo[4.2.0]octane derivatives as neuronal nicotinic acetylcholine receptors by comparative molecular field analysis (CoMFA). Bioorg Med Chem Lett 19:127-31 (2008) [PubMed]  Article 
Target
Name:
Neuronal acetylcholine receptor subunit alpha-4
Synonyms:
ACHA4_HUMAN | CHRNA4 | CHRNA4 protein | NACRA4 | Neuronal acetylcholine receptor protein alpha-4 subunit | Neuronal acetylcholine receptor subunit alpha 4 beta 2 | Nicotinic acetylcholine receptor alpha4/beta2/alpha5
Type:
n/a
Mol. Mass.:
69963.49
Organism:
Homo sapiens (Human)
Description:
NACHRA4
Residue:
627
Sequence:
MELGGPGAPRLLPPLLLLLGTGLLRASSHVETRAHAEERLLKKLFSGYNKWSRPVANISDVVLVRFGLSIAQLIDVDEKNQMMTTNVWVKQEWHDYKLRWDPADYENVTSIRIPSELIWRPDIVLYNNADGDFAVTHLTKAHLFHDGRVQWTPPAIYKSSCSIDVTFFPFDQQNCTMKFGSWTYDKAKIDLVNMHSRVDQLDFWESGEWVIVDAVGTYNTRKYECCAEIYPDITYAFVIRRLPLFYTINLIIPCLLISCLTVLVFYLPSECGEKITLCISVLLSLTVFLLLITEIIPSTSLVIPLIGEYLLFTMIFVTLSIVITVFVLNVHHRSPRTHTMPTWVRRVFLDIVPRLLLMKRPSVVKDNCRRLIESMHKMASAPRFWPEPEGEPPATSGTQSLHPPSPSFCVPLDVPAEPGPSCKSPSDQLPPQQPLEAEKASPHPSPGPCRPPHGTQAPGLAKARSLSVQHMSSPGEAVEGGVRCRSRSIQYCVPRDDAAPEADGQAAGALASRNTHSAELPPPDQPSPCKCTCKKEPSSVSPSATVKTRSTKAPPPHLPLSPALTRAVEGVQYIADHLKAEDTDFSVKEDWKYVAMVIDRIFLWMFIIVCLLGTVGLFLPPWLAGMI
  
Inhibitor
Name:
BDBM50201064
Synonyms:
(1R,6S)-2-bromo-5-(3,8-diaza-bicyclo[4.2.0]oct-3-yl)-nicotinonitrile | 5-((1R,6S)-3,8-diaza-bicyclo[4.2.0]octan-3-yl)-2-bromonicotinonitrile | CHEMBL374692
Type:
Small organic molecule
Emp. Form.:
C12H13BrN4
Mol. Mass.:
293.162
SMILES:
Brc1ncc(cc1C#N)N1CC[C@H]2CN[C@H]2C1 |r|
Structure:
Search PDB for entries with ligand similarity: