Reaction Details Report a problem with these data
Target
Neuronal acetylcholine receptor subunit alpha-4/beta-4
Ligand
BDBM50049757
Substrate
n/a
Meas. Tech.
ChEMBL_144012 (CHEMBL750427)
Kd
0.090000±n/a nM
Citation
 Wei, ZL; Petukhov, PA; Xiao, Y; Tückmantel, W; George, C; Kellar, KJ; Kozikowski, AP Synthesis, nicotinic acetylcholine receptor binding affinities, and molecular modeling of constrained epibatidine analogues. J Med Chem 46:921-4 (2003) [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:
BDBM50049757
Synonyms:
(2R,4S)-2-(6-Iodo-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane | exo-2-(6-chloropyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane | (R)-2-(6-Chloro-pyridin-3-yl)-7-methyl-7-aza-bicyclo[2.2.1]heptane | 2-(6-Chloro-pyridin-3-yl)-7-azonia-bicyclo[2.2.1]heptane | 2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane | 2-Pyridin-3-yl-7-aza-bicyclo[2.2.1]heptane | ()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane | rac-(2R)-2-(6-chloropyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane | Epibatidine-(-) | Epibatidine-(+) | 2-(6-Chloro-pyridin-3-yl)-5-methyl-7-aza-bicyclo[2.2.1]heptane | (-)-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane | CHEMBL6623 | (1R,2R,4S)-epibatidine | (+)-epibatidine | (2R,4S)-2-(6-chloropyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane | 2-(6-chloropyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane | (2R,4S)-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane | 2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane (epibatidine) | 2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane(+/-) epibatidine | (R)-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane | Epibatidine, (+/-) | 2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane(Epibatidine) | (2R)-2-(6-chloropyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane hydrochloride | (+)-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane | EPIBATIDINE
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
c1cc(ncc1[C@H]2C[C@@H]3CC[C@H]2N3)Cl
Structure:
Search PDB for entries with ligand similarity: