Reaction Details Report a problem with these data
Target
Neuronal acetylcholine receptor subunit alpha-4/beta-2
Ligand
BDBM50164921
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:
BDBM50164921
Synonyms:
1-Methyl-1H-indole-3-carboxylic acid ((2R,3R)-2-pyridin-3-ylmethyl-1-aza-bicyclo[2.2.2]oct-3-yl)-amide | CHEMBL371851
Type:
Small organic molecule
Emp. Form.:
C23H26N4O
Mol. Mass.:
374.4787
SMILES:
Cn1cc(C(=O)N[C@@H]2C3CCN(CC3)[C@@H]2Cc2cccnc2)c2ccccc12 |wU:7.6,14.16,(8.86,4.18,;8.23,2.76,;6.73,2.45,;6.57,.93,;5.24,.16,;5.24,-1.39,;3.91,.93,;2.56,.16,;1.22,.94,;.45,-.4,;1.79,-1.17,;1.22,-2.15,;-.09,-1.39,;-.09,.16,;2.56,-1.39,;3.91,-2.16,;3.89,-3.7,;2.56,-4.47,;2.56,-6.01,;3.89,-6.78,;5.24,-6.01,;5.22,-4.47,;7.97,.3,;8.43,-1.15,;9.92,-1.48,;10.95,-.34,;10.48,1.11,;9,1.43,)|
Structure:
Search PDB for entries with ligand similarity: