Reaction Details  Report a problem with these data
Target
Neuronal acetylcholine receptor subunit alpha-4
Ligand
BDBM50296741
Substrate
n/a
Meas. Tech.
ChEMBL_582486 (CHEMBL1058163)
IC50
>10000±n/a nM
Citation
 O'Donnell, CJ; Peng, L; O'Neill, BT; Arnold, EP; Mather, RJ; Sands, SB; Shrikhande, A; Lebel, LA; Spracklin, DK; Nedza, FM Synthesis and SAR studies of 1,4-diazabicyclo[3.2.2]nonane phenyl carbamates--subtype selective, high affinity alpha7 nicotinic acetylcholine receptor agonists. Bioorg Med Chem Lett 19:4747-51 (2009) [PubMed]  Article
Target
Name:
Neuronal acetylcholine receptor subunit alpha-4
Synonyms:
ACHA4_RAT | Acra4 | Cholinergic, Nicotinic Alpha4Beta2 | Cholinergic, Nicotinic Alpha4Beta4 | Chrna4 | Neuronal acetylcholine receptor | Neuronal acetylcholine receptor (alpha4beta2 nAChR) | Neuronal acetylcholine receptor protein alpha-4 subunit | Neuronal acetylcholine receptor subunit alpha 4 beta 2 | Neuronal acetylcholine receptor subunit alpha-4
Type:
Enzyme
Mol. Mass.:
70196.44
Organism:
Rattus norvegicus (Rat)
Description:
P09483
Residue:
630
Sequence:
MANSGTGAPPPLLLLPLLLLLGTGLLPASSHIETRAHAEERLLKRLFSGYNKWSRPVANISDVVLVRFGLSIAQLIDVDEKNQMMTTNVWVKQEWHDYKLRWDPGDYENVTSIRIPSELIWRPDIVLYNNADGDFAVTHLTKAHLFYDGRVQWTPPAIYKSSCSIDVTFFPFDQQNCTMKFGSWTYDKAKIDLVSMHSRVDQLDFWESGEWVIVDAVGTYNTRKYECCAEIYPDITYAFIIRRLPLFYTINLIIPCLLISCLTVLVFYLPSECGEKVTLCISVLLSLTVFLLLITEIIPSPTSLVIPLIGEYLLFTMIFVTLSIVITVFVLNVHHRSPRTHTMPAWVRRVFLDIVPRLLFMKRPSVVKDNCRRLIESMHKMANAPRFWPEPVGEPGILSDICNQGLSPAPTFCNPTDTAVETQPTCRSPPLEVPDLKTSEVEKASPCPSPGSCPPPKSSSGAPMLIKARSLSVQHVPSSQEAAEDGIRCRSRSIQYCVSQDGAASLADSKPTSSPTSLKARPSQLPVSDQASPCKCTCKEPSPVSPVTVLKAGGTKAPPQHLPLSPALTRAVEGVQYIADHLKAEDTDFSVKEDWKYVAMVIDRIFLWMFIIVCLLGTVGLFLPPWLAAC
  
Inhibitor
Name:
BDBM50296741
Synonyms:
1,5-diazabicyclo[4.2.2]decane carbamate | CHEMBL553929
Type:
Small organic molecule
Emp. Form.:
C15H19BrN2O2
Mol. Mass.:
339.228
SMILES:
Brc1ccc(OC(=O)N2CCCN3CCC2CC3)cc1 |TLB:6:8:14.13:16.17,(13.79,5.49,;12.61,4.49,;12.88,2.97,;11.7,1.97,;10.25,2.5,;9.07,1.51,;7.62,2.04,;7.35,3.56,;6.43,1.04,;7.2,-.29,;6.15,-1.08,;5.79,.29,;4.41,.22,;4.33,1.93,;4.95,3.08,;5.02,1.66,;3.72,.96,;3.42,-.49,;9.97,4.02,;11.15,5.02,)|
Structure:
Search PDB for entries with ligand similarity: