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Target
Neuronal acetylcholine receptor subunit alpha-4/beta-2
Ligand
BDBM50164957
Substrate
n/a
Meas. Tech.
ChEMBL_303090 (CHEMBL828762)
Ki
>10000±n/a nM
Citation
 Mazurov, A; Klucik, J; Miao, L; Phillips, TY; Seamans, A; Schmitt, JD; Hauser, TA; Johnson, RT; Miller, C 2-(Arylmethyl)-3-substituted quinuclidines as selective alpha 7 nicotinic receptor ligands. Bioorg Med Chem Lett 15:2073-7 (2005) [PubMed]  Article 
Target
Name:
Neuronal acetylcholine receptor subunit alpha-4/beta-2
Synonyms:
Neuronal acetylcholine receptor Alpha-4/Beta-2 | Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit | Neuronal acetylcholine receptor; alpha4/beta2 | nAChR subtypes alpha4 beta2
Type:
Protein
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 2 components.
Component 1
Name:
Neuronal acetylcholine receptor subunit alpha-4
Synonyms:
ACHA4_HUMAN | CHRNA4 | CHRNA4 protein | NACRA4 | Neuronal acetylcholine receptor protein alpha-4 subunit | Neuronal acetylcholine receptor subunit alpha 4 beta 2 | Nicotinic acetylcholine receptor alpha4/beta2/alpha5
Type:
n/a
Mol. Mass.:
69963.49
Organism:
Homo sapiens (Human)
Description:
NACHRA4
Residue:
627
Sequence:
MELGGPGAPRLLPPLLLLLGTGLLRASSHVETRAHAEERLLKKLFSGYNKWSRPVANISDVVLVRFGLSIAQLIDVDEKNQMMTTNVWVKQEWHDYKLRWDPADYENVTSIRIPSELIWRPDIVLYNNADGDFAVTHLTKAHLFHDGRVQWTPPAIYKSSCSIDVTFFPFDQQNCTMKFGSWTYDKAKIDLVNMHSRVDQLDFWESGEWVIVDAVGTYNTRKYECCAEIYPDITYAFVIRRLPLFYTINLIIPCLLISCLTVLVFYLPSECGEKITLCISVLLSLTVFLLLITEIIPSTSLVIPLIGEYLLFTMIFVTLSIVITVFVLNVHHRSPRTHTMPTWVRRVFLDIVPRLLLMKRPSVVKDNCRRLIESMHKMASAPRFWPEPEGEPPATSGTQSLHPPSPSFCVPLDVPAEPGPSCKSPSDQLPPQQPLEAEKASPHPSPGPCRPPHGTQAPGLAKARSLSVQHMSSPGEAVEGGVRCRSRSIQYCVPRDDAAPEADGQAAGALASRNTHSAELPPPDQPSPCKCTCKKEPSSVSPSATVKTRSTKAPPPHLPLSPALTRAVEGVQYIADHLKAEDTDFSVKEDWKYVAMVIDRIFLWMFIIVCLLGTVGLFLPPWLAGMI
  
Component 2
Name:
Neuronal acetylcholine receptor subunit beta-2
Synonyms:
ACHB2_HUMAN | CHRNB2 | Neuronal acetylcholine receptor protein beta-2 subunit | Nicotinic acetylcholine receptor alpha3/beta2/alpha5
Type:
Protein
Mol. Mass.:
57020.50
Organism:
Homo sapiens (Human)
Description:
P17787
Residue:
502
Sequence:
MARRCGPVALLLGFGLLRLCSGVWGTDTEERLVEHLLDPSRYNKLIRPATNGSELVTVQLMVSLAQLISVHEREQIMTTNVWLTQEWEDYRLTWKPEEFDNMKKVRLPSKHIWLPDVVLYNNADGMYEVSFYSNAVVSYDGSIFWLPPAIYKSACKIEVKHFPFDQQNCTMKFRSWTYDRTEIDLVLKSEVASLDDFTPSGEWDIVALPGRRNENPDDSTYVDITYDFIIRRKPLFYTINLIIPCVLITSLAILVFYLPSDCGEKMTLCISVLLALTVFLLLISKIVPPTSLDVPLVGKYLMFTMVLVTFSIVTSVCVLNVHHRSPTTHTMAPWVKVVFLEKLPALLFMQQPRHHCARQRLRLRRRQREREGAGALFFREAPGADSCTCFVNRASVQGLAGAFGAEPAPVAGPGRSGEPCGCGLREAVDGVRFIADHMRSEDDDQSVSEDWKYVAMVIDRLFLWIFVFVCVFGTIGMFLQPLFQNYTTTTFLHSDHSAPSSK
  
Inhibitor
Name:
BDBM50164957
Synonyms:
1-(2-Methoxy-phenyl)-3-((2R,3R)-2-pyridin-3-ylmethyl-1-aza-bicyclo[2.2.2]oct-3-yl)-urea | CHEMBL193418
Type:
Small organic molecule
Emp. Form.:
C21H26N4O2
Mol. Mass.:
366.4567
SMILES:
COc1ccccc1NC(=O)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 |wU:12.12,19.22,(13.49,5.64,;14.84,4.87,;14.82,3.33,;16.15,2.56,;16.15,1,;14.82,.25,;13.49,1.02,;13.49,2.56,;12.16,3.33,;10.83,2.56,;10.83,1.02,;9.5,3.34,;8.17,2.57,;6.84,3.35,;6.05,2.02,;7.38,1.25,;6.84,.27,;5.51,1.03,;5.51,2.57,;8.17,1.03,;9.5,.26,;9.5,-1.28,;8.15,-2.04,;8.15,-3.58,;9.5,-4.35,;10.83,-3.58,;10.83,-2.04,)|
Structure:
Search PDB for entries with ligand similarity: