Reaction Details Report a problem with these data
Target
Neuronal acetylcholine receptor subunit alpha-4/beta-4
Ligand
BDBM50246823
Substrate
n/a
Meas. Tech.
ChEMBL_1676967 (CHEMBL4027110)
Ki
184±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-4
Synonyms:
nAChR subtypes alpha4 beta4 | Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit | Neuronal acetylcholine receptor; alpha4/beta4
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of EBI is 144014
Components:
This complex has 2 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-4
Synonyms:
N-alpha 2 | Neuronal acetylcholine receptor non-alpha-2 chain | Neuronal acetylcholine receptor protein beta-4 subunit | ACHB4_RAT | Chrnb4 | Acrb4
Type:
Enzyme
Mol. Mass.:
55863.89
Organism:
Rat
Description:
P12392
Residue:
495
Sequence:
MRGTPLLLVSLFSLLQDGDCRLANAEEKLMDDLLNKTRYNNLIRPATSSSQLISIRLELSLSQLISVNEREQIMTTSIWLKQEWTDYRLAWNSSCYEGVNILRIPAKRVWLPDIVLYNNADGTYEVSVYTNVIVRSNGSIQWLPPAIYKSACKIEVKHFPFDQQNCTLKFRSWTYDHTEIDMVLKSPTAIMDDFTPSGEWDIVALPGRRTVNPQDPSYVDVTYDFIIKRKPLFYTINLIIPCVLITSLAILVFYLPSDCGEKMTLCISVLLALTFFLLLISKIVPPTSLDIPLIGKYLLFTMVLVTFSIVTTVCVLNVHHRSPSTHTMASWVKECFLHKLPTFLFMKRPGLEVSLVRVPHPSQLHLATADTAATSALGPTSPSNLYGSSMYFVNPVPAAPKSAVSSHTAGLPRDARLRSSGRFREDLQEALEGVSFIAQHLESDDRDQSVIEDWKFVAMVVDRLFLWVFVFVCILGTMGLFLPPLFQIHAPSKDS
  
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:
Search PDB for entries with ligand similarity: