Reaction Details Report a problem with these data
Target
Neuronal acetylcholine receptor subunit alpha-4/beta-2
Ligand
BDBM50246823
Substrate
n/a
Meas. Tech.
ChEMBL_1676974 (CHEMBL4027117)
IC50
10.0±n/a nM
Citation
 Wu, J; Cippitelli, A; Zhang, Y; Debevec, G; Schoch, J; Ozawa, A; Yu, Y; Liu, H; Chen, W; Houghten, RA; Welmaker, GS; Giulianotti, MA; Toll, L Highly Selective and Potentα4β2 nAChR Antagonist Inhibits Nicotine Self-Administration and Reinstatement in Rats. J Med Chem 60:10092-10104 (2017) [PubMed]  Article 
Target
Name:
Neuronal acetylcholine receptor subunit alpha-4/beta-2
Synonyms:
Neuronal acetylcholine receptor alpha4/beta2 | Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit | Neuronal acetylcholine receptor; alpha4/beta2
Type:
n/a
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 0 components.
Component 1
Name:
Neuronal acetylcholine receptor subunit alpha-4
Synonyms:
Neuronal acetylcholine receptor subunit alpha 4 beta 2 | Cholinergic, Nicotinic Alpha4Beta2 | Neuronal acetylcholine receptor subunit alpha-4 | Cholinergic, Nicotinic Alpha4Beta4 | Neuronal acetylcholine receptor protein alpha-4 subunit | Neuronal acetylcholine receptor (alpha4beta2 nAChR) | Neuronal acetylcholine receptor | ACHA4_RAT | Chrna4 | Acra4
Type:
Enzyme
Mol. Mass.:
70196.44
Organism:
Rat
Description:
P09483
Residue:
630
Sequence:
MANSGTGAPPPLLLLPLLLLLGTGLLPASSHIETRAHAEERLLKRLFSGYNKWSRPVANISDVVLVRFGLSIAQLIDVDEKNQMMTTNVWVKQEWHDYKLRWDPGDYENVTSIRIPSELIWRPDIVLYNNADGDFAVTHLTKAHLFYDGRVQWTPPAIYKSSCSIDVTFFPFDQQNCTMKFGSWTYDKAKIDLVSMHSRVDQLDFWESGEWVIVDAVGTYNTRKYECCAEIYPDITYAFIIRRLPLFYTINLIIPCLLISCLTVLVFYLPSECGEKVTLCISVLLSLTVFLLLITEIIPSPTSLVIPLIGEYLLFTMIFVTLSIVITVFVLNVHHRSPRTHTMPAWVRRVFLDIVPRLLFMKRPSVVKDNCRRLIESMHKMANAPRFWPEPVGEPGILSDICNQGLSPAPTFCNPTDTAVETQPTCRSPPLEVPDLKTSEVEKASPCPSPGSCPPPKSSSGAPMLIKARSLSVQHVPSSQEAAEDGIRCRSRSIQYCVSQDGAASLADSKPTSSPTSLKARPSQLPVSDQASPCKCTCKEPSPVSPVTVLKAGGTKAPPQHLPLSPALTRAVEGVQYIADHLKAEDTDFSVKEDWKYVAMVIDRIFLWMFIIVCLLGTVGLFLPPWLAAC
  
Component 2
Name:
Neuronal acetylcholine receptor subunit beta-2
Synonyms:
Neuronal acetylcholine receptor non-alpha-1 chain | N-alpha 1 | ACHB2_RAT | Chrnb2 | Acrb2
Type:
Enzyme
Mol. Mass.:
56910.32
Organism:
Rat
Description:
P12390
Residue:
500
Sequence:
MAGHSNSMALFSFSLLWLCSGVLGTDTEERLVEHLLDPSRYNKLIRPATNGSELVTVQLMVSLAQLISVHEREQIMTTNVWLTQEWEDYRLTWKPEDFDNMKKVRLPSKHIWLPDVVLYNNADGMYEVSFYSNAVVSYDGSIFWLPPAIYKSACKIEVKHFPFDQQNCTMKFRSWTYDRTEIDLVLKSDVASLDDFTPSGEWDIIALPGRRNENPDDSTYVDITYDFIIRRKPLFYTINLIIPCVLITSLAILVFYLPSDCGEKMTLCISVLLALTVFLLLISKIVPPTSLDVPLVGKYLMFTMVLVTFSIVTSVCVLNVHHRSPTTHTMAPWVKVVFLEKLPTLLFLQQPRHRCARQRLRLRRRQREREGAGALFFREGPAADPCTCFVNPASVQGLAGAFRAEPTAAGPGRSVGPCSCGLREAVDGVRFIADHMRSEDDDQSVREDWKYVAMVIDRLFLWIFVFVCVFGTVGMFLQPLFQNYTATTFLHPDHSAPSSK
  
Inhibitor
Name:
BDBM50246823
Synonyms:
CHEMBL4071277
Type:
Small organic molecule
Emp. Form.:
C11H16N4O
Mol. Mass.:
220.13
SMILES:
OC[C@H]1CNC(=N)N1CCc1cccnc1 |r|
Structure:
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