Reaction Details Report a problem with these data
Target
Neuronal acetylcholine receptor subunit alpha-4/beta-2
Ligand
BDBM50331009
Substrate
n/a
Meas. Tech.
ChEMBL_684744 (CHEMBL1285771)
Ki
10000±n/a nM
Citation
 Zaveri, N; Jiang, F; Olsen, C; Polgar, W; Toll, L Novela3ß4 nicotinic acetylcholine receptor-selective ligands. Discovery, structure-activity studies, and pharmacological evaluation. J Med Chem 53:8187-91 (2010) [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:
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
  
Component 2
Name:
Neuronal acetylcholine receptor subunit beta-2
Synonyms:
ACHB2_RAT | Acrb2 | Chrnb2 | N-alpha 1 | Neuronal acetylcholine receptor non-alpha-1 chain
Type:
Enzyme
Mol. Mass.:
56910.32
Organism:
Rattus norvegicus (Rat)
Description:
P12390
Residue:
500
Sequence:
MAGHSNSMALFSFSLLWLCSGVLGTDTEERLVEHLLDPSRYNKLIRPATNGSELVTVQLMVSLAQLISVHEREQIMTTNVWLTQEWEDYRLTWKPEDFDNMKKVRLPSKHIWLPDVVLYNNADGMYEVSFYSNAVVSYDGSIFWLPPAIYKSACKIEVKHFPFDQQNCTMKFRSWTYDRTEIDLVLKSDVASLDDFTPSGEWDIIALPGRRNENPDDSTYVDITYDFIIRRKPLFYTINLIIPCVLITSLAILVFYLPSDCGEKMTLCISVLLALTVFLLLISKIVPPTSLDVPLVGKYLMFTMVLVTFSIVTSVCVLNVHHRSPTTHTMAPWVKVVFLEKLPTLLFLQQPRHRCARQRLRLRRRQREREGAGALFFREGPAADPCTCFVNPASVQGLAGAFRAEPTAAGPGRSVGPCSCGLREAVDGVRFIADHMRSEDDDQSVREDWKYVAMVIDRLFLWIFVFVCVFGTVGMFLQPLFQNYTATTFLHPDHSAPSSK
  
Inhibitor
Name:
BDBM50331009
Synonyms:
3-(1-(4-tert-pentylcyclohexyl)piperidin-4-yl)indolin-2-one | CHEMBL1277967
Type:
Small organic molecule
Emp. Form.:
C24H36N2O
Mol. Mass.:
368.5554
SMILES:
CCC(C)(C)C1CCC(CC1)N1CCC(CC1)C1C(=O)Nc2ccccc12 |(39.59,-9.39,;39.59,-10.93,;38.25,-11.69,;38.24,-13.23,;39.57,-12.46,;36.92,-10.92,;35.58,-11.68,;34.26,-10.91,;34.26,-9.37,;35.59,-8.59,;36.93,-9.37,;32.93,-8.59,;31.6,-9.36,;30.27,-8.59,;30.27,-7.05,;31.6,-6.28,;32.93,-7.05,;28.94,-6.29,;28.76,-4.75,;29.9,-3.72,;27.26,-4.44,;26.5,-5.77,;25,-6.09,;24.53,-7.55,;25.56,-8.69,;27.06,-8.37,;27.53,-6.91,)|
Structure:
Search PDB for entries with ligand similarity: