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Target
Neuronal acetylcholine receptor subunit alpha-4/beta-2
Ligand
BDBM50216327
Substrate
n/a
Meas. Tech.
ChEMBL_439960 (CHEMBL890277)
EC50
3200±n/a nM
Citation
 Bunnelle, WH; Daanen, JF; Ryther, KB; Schrimpf, MR; Dart, MJ; Gelain, A; Meyer, MD; Frost, JM; Anderson, DJ; Buckley, M; Curzon, P; Cao, YJ; Puttfarcken, P; Searle, X; Ji, J; Putman, CB; Surowy, C; Toma, L; Barlocco, D Structure-activity studies and analgesic efficacy of N-(3-pyridinyl)-bridged bicyclic diamines, exceptionally potent agonists at nicotinic acetylcholine receptors. J Med Chem 50:3627-44 (2007) [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:
BDBM50216327
Synonyms:
(1R,4R)-2-(6-chloro-5-hydroxy-3-pyridinyl)-2,5-diazabicyclo-[2.2.1]heptane | (1S,4S)-2-(6-chloro-5-hydroxy-3-pyridinyl)-2,5-diazabicyclo-[2.2.1]heptane | CHEMBL242487
Type:
Small organic molecule
Emp. Form.:
C10H12ClN3O
Mol. Mass.:
225.675
SMILES:
Oc1cc(cnc1Cl)N1CC2CC1CN2 |w:10.16,12.14,THB:3:8:13.14:11|
Structure:
Search PDB for entries with ligand similarity: