Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetNeuronal acetylcholine receptor Alpha-4/Beta-2
LigandBDBM50399807
Substrate/Competitorn/a
Meas. Tech.ChEMBL_877366
Ki 4400±n/a nM
Citation Mazurov, AAKombo, DCHauser, TAMiao, LDull, GGenus, JFFedorov, NBBenson, LSidach, SXiao, YHammond, PSJames, JWMiller, CHYohannes, D Discovery of (2S,3R)-N-[2-(Pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]oct-3-yl]benzo[b]furan-2-carboxamide (TC-5619), a selectivea7 nicotinic acetylcholine receptor agonist, for the treatment of cognitive disorders. J Med Chem55:9793-809 (2012) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Neuronal acetylcholine receptor Alpha-4/Beta-2
Name:Neuronal acetylcholine receptor Alpha-4/Beta-2
Synonyms: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: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:
MELGGPGAPRLLPPLLLLLGTGLLRASSHVETRAHAEERLLKKLFSGYNKWSRPVANISD
VVLVRFGLSIAQLIDVDEKNQMMTTNVWVKQEWHDYKLRWDPADYENVTSIRIPSELIWR
PDIVLYNNADGDFAVTHLTKAHLFHDGRVQWTPPAIYKSSCSIDVTFFPFDQQNCTMKFG
SWTYDKAKIDLVNMHSRVDQLDFWESGEWVIVDAVGTYNTRKYECCAEIYPDITYAFVIR
RLPLFYTINLIIPCLLISCLTVLVFYLPSECGEKITLCISVLLSLTVFLLLITEIIPSTS
LVIPLIGEYLLFTMIFVTLSIVITVFVLNVHHRSPRTHTMPTWVRRVFLDIVPRLLLMKR
PSVVKDNCRRLIESMHKMASAPRFWPEPEGEPPATSGTQSLHPPSPSFCVPLDVPAEPGP
SCKSPSDQLPPQQPLEAEKASPHPSPGPCRPPHGTQAPGLAKARSLSVQHMSSPGEAVEG
GVRCRSRSIQYCVPRDDAAPEADGQAAGALASRNTHSAELPPPDQPSPCKCTCKKEPSSV
SPSATVKTRSTKAPPPHLPLSPALTRAVEGVQYIADHLKAEDTDFSVKEDWKYVAMVIDR
IFLWMFIIVCLLGTVGLFLPPWLAGMI
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
Component 2
Name:Neuronal acetylcholine receptor subunit beta-2
Synonyms: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:
MARRCGPVALLLGFGLLRLCSGVWGTDTEERLVEHLLDPSRYNKLIRPATNGSELVTVQL
MVSLAQLISVHEREQIMTTNVWLTQEWEDYRLTWKPEEFDNMKKVRLPSKHIWLPDVVLY
NNADGMYEVSFYSNAVVSYDGSIFWLPPAIYKSACKIEVKHFPFDQQNCTMKFRSWTYDR
TEIDLVLKSEVASLDDFTPSGEWDIVALPGRRNENPDDSTYVDITYDFIIRRKPLFYTIN
LIIPCVLITSLAILVFYLPSDCGEKMTLCISVLLALTVFLLLISKIVPPTSLDVPLVGKY
LMFTMVLVTFSIVTSVCVLNVHHRSPTTHTMAPWVKVVFLEKLPALLFMQQPRHHCARQR
LRLRRRQREREGAGALFFREAPGADSCTCFVNRASVQGLAGAFGAEPAPVAGPGRSGEPC
GCGLREAVDGVRFIADHMRSEDDDQSVSEDWKYVAMVIDRLFLWIFVFVCVFGTIGMFLQ
PLFQNYTTTTFLHSDHSAPSSK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50399807
NameBDBM50399807
Synonyms:CHEMBL2179847
TypeSmall organic molecule
Emp. Form.C20H22FN3O2
Mol. Mass.355.406
SMILESOc1ccc(cc1F)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:11.11,wD:18.21,(12.1,-51.99,;10.76,-52.76,;9.42,-51.99,;8.09,-52.76,;8.1,-54.29,;9.42,-55.07,;10.76,-54.3,;12.09,-55.08,;6.76,-55.05,;6.76,-56.59,;5.43,-54.28,;4.09,-55.05,;2.76,-54.27,;1.43,-55.05,;1.43,-56.59,;2.76,-57.35,;1.98,-56.01,;3.35,-55.51,;4.09,-56.59,;5.42,-57.36,;5.42,-58.9,;4.09,-59.66,;4.08,-61.2,;5.42,-61.98,;6.76,-61.2,;6.75,-59.66,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a