Reaction Details Report a problem with these data
Target
Neuronal acetylcholine receptor subunit alpha-4/beta-2
Ligand
BDBM50534292
Substrate
n/a
Meas. Tech.
ChEMBL_1928134 (CHEMBL4431206)
Ki
449±n/a nM
Citation
 Sarasamkan, J; Scheunemann, M; Apaijai, N; Palee, S; Parichatikanond, W; Arunrungvichian, K; Fischer, S; Chattipakorn, S; Deuther-Conrad, W; Schüürmann, G; Brust, P; Vajragupta, O Varying Chirality Across Nicotinic Acetylcholine Receptor Subtypes: Selective Binding of Quinuclidine Triazole Compounds. ACS Med Chem Lett 7:890-895 (2016) [PubMed]  Article 
Target
Name:
Neuronal acetylcholine receptor subunit alpha-4/beta-2
Synonyms:
A4B2 (nicotinic a4/b2 acetylcholine receptor) | nAChR subtypes alpha4 beta2 | Neuronal acetylcholine receptor Alpha-4/Beta-2 | Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit | Neuronal acetylcholine receptor; 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:
Neuronal acetylcholine receptor subunit alpha 4 beta 2 | ACHA4_HUMAN | Nicotinic acetylcholine receptor alpha4/beta2/alpha5 | CHRNA4 | CHRNA4 protein | NACRA4 | Neuronal acetylcholine receptor protein alpha-4 subunit
Type:
Mol. Mass.:
69963.49
Organism:
Human
Description:
NACHRA4
Residue:
627
Sequence:
MELGGPGAPRLLPPLLLLLGTGLLRASSHVETRAHAEERLLKKLFSGYNKWSRPVANISDVVLVRFGLSIAQLIDVDEKNQMMTTNVWVKQEWHDYKLRWDPADYENVTSIRIPSELIWRPDIVLYNNADGDFAVTHLTKAHLFHDGRVQWTPPAIYKSSCSIDVTFFPFDQQNCTMKFGSWTYDKAKIDLVNMHSRVDQLDFWESGEWVIVDAVGTYNTRKYECCAEIYPDITYAFVIRRLPLFYTINLIIPCLLISCLTVLVFYLPSECGEKITLCISVLLSLTVFLLLITEIIPSTSLVIPLIGEYLLFTMIFVTLSIVITVFVLNVHHRSPRTHTMPTWVRRVFLDIVPRLLLMKRPSVVKDNCRRLIESMHKMASAPRFWPEPEGEPPATSGTQSLHPPSPSFCVPLDVPAEPGPSCKSPSDQLPPQQPLEAEKASPHPSPGPCRPPHGTQAPGLAKARSLSVQHMSSPGEAVEGGVRCRSRSIQYCVPRDDAAPEADGQAAGALASRNTHSAELPPPDQPSPCKCTCKKEPSSVSPSATVKTRSTKAPPPHLPLSPALTRAVEGVQYIADHLKAEDTDFSVKEDWKYVAMVIDRIFLWMFIIVCLLGTVGLFLPPWLAGMI
  
Component 2
Name:
Neuronal acetylcholine receptor subunit beta-2
Synonyms:
Neuronal acetylcholine receptor protein beta-2 subunit | Nicotinic acetylcholine receptor alpha3/beta2/alpha5 | ACHB2_HUMAN | CHRNB2
Type:
Protein
Mol. Mass.:
57020.50
Organism:
Human
Description:
P17787
Residue:
502
Sequence:
MARRCGPVALLLGFGLLRLCSGVWGTDTEERLVEHLLDPSRYNKLIRPATNGSELVTVQLMVSLAQLISVHEREQIMTTNVWLTQEWEDYRLTWKPEEFDNMKKVRLPSKHIWLPDVVLYNNADGMYEVSFYSNAVVSYDGSIFWLPPAIYKSACKIEVKHFPFDQQNCTMKFRSWTYDRTEIDLVLKSEVASLDDFTPSGEWDIVALPGRRNENPDDSTYVDITYDFIIRRKPLFYTINLIIPCVLITSLAILVFYLPSDCGEKMTLCISVLLALTVFLLLISKIVPPTSLDVPLVGKYLMFTMVLVTFSIVTSVCVLNVHHRSPTTHTMAPWVKVVFLEKLPALLFMQQPRHHCARQRLRLRRRQREREGAGALFFREAPGADSCTCFVNRASVQGLAGAFGAEPAPVAGPGRSGEPCGCGLREAVDGVRFIADHMRSEDDDQSVSEDWKYVAMVIDRLFLWIFVFVCVFGTIGMFLQPLFQNYTTTTFLHSDHSAPSSK
  
Inhibitor
Name:
BDBM50534292
Synonyms:
CHEMBL4437323
Type:
Small organic molecule
Emp. Form.:
C15H17FN4
Mol. Mass.:
272.33
SMILES:
Fc1ccc(cc1)-c1cn(nn1)C1CN2CCC1CC2 |THB:9:12:15.16:19.18,(14.66,-13.26,;13.12,-13.25,;12.34,-14.58,;10.8,-14.58,;10.04,-13.24,;10.81,-11.91,;12.35,-11.91,;8.5,-13.23,;7.45,-14.36,;6.05,-13.72,;6.24,-12.19,;7.75,-11.89,;4.71,-14.46,;4.51,-15.85,;2.97,-15.19,;1.6,-15.82,;1.89,-14.43,;3.23,-13.82,;3.17,-12.19,;2.72,-13.3,)|
Structure:
Search PDB for entries with ligand similarity: