new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetNeuronal acetylcholine receptor protein alpha-3/beta-2 subunit
LigandBDBM50081733
Substrate/Competitorn/a
Meas. Tech.ChEMBL_143247
IC50 1.9±n/a nM
Citation Olesen PHSwedberg MDEskesen KJudge MEEgebjerg JTønder JERasmussen TSheardown MJRimvall K Identification of novel (isoxazole)methylene-1-azabicyclic compounds with high affinity for the central nicotinic cholinergic receptor Bioorg Med Chem Lett 7:1963-1968 (1997)    Article
More Info.:Get all data from this article,  Assay Method
 
Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit
Name:Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit
Synonyms:Neuronal acetylcholine receptor protein beta-2 subunit/subunit alpha-3 | Neuronal acetylcholine receptor; alpha3/beta2
Type:n/a
Mol. Mass.:n/a
Description:ASSAY_ID of EBI is 143246
Components:This complex has 2 components.
Component 1
Name:Integrin alpha-5/Neuronal acetylcholine receptor subunit alpha-3/Neuronal acetylcholine receptor subunit beta-2/Neuronal acetylcholine receptor subunit beta-4
Synonyms:Neuronal acetylcholine receptor protein beta-2 subunit | Neuronal acetylcholine receptor subunit beta-2 | 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:
Component 2
Name:Integrin alpha-5/Neuronal acetylcholine receptor subunit alpha-3/Neuronal acetylcholine receptor subunit beta-2/Neuronal acetylcholine receptor subunit beta-4
Synonyms:Cholinergic, Nicotinic Alpha3Beta4 | Cholinergic, Nicotinic Alpha3Beta4x | Neuronal acetylcholine receptor protein alpha-3 subunit | Neuronal acetylcholine receptor subunit alpha-3 | Nicotinic acetylcholine receptor alpha6/alpha3/beta4 | nicotinic central
Type:Enzyme Catalytic Domain
Mol. Mass.:57479.03
Organism:Homo sapiens (Human)
Description:Cholinergic, Nicotinic Alpha3Beta2 0 HUMAN::P32297
Residue:505
Sequence:
MGSGPLSLPLALSPPRLLLLLLLSLLPVARASEAEHRLFERLFEDYNEIIRPVANVSDPV
IIHFEVSMSQLVKVDEVNQIMETNLWLKQIWNDYKLKWNPSDYGGAEFMRVPAQKIWKPD
IVLYNNAVGDFQVDDKTKALLKYTGEVTWIPPAIFKSSCKIDVTYFPFDYQNCTMKFGSW
SYDKAKIDLVLIGSSMNLKDYWESGEWAIIKAPGYKHDIKYNCCEEIYPDITYSLYIRRL
PLFYTINLIIPCLLISFLTVLVFYLPSDCGEKVTLCISVLLSLTVFLLVITETIPSTSLV
IPLIGEYLLFTMIFVTLSIVITVFVLNVHYRTPTTHTMPSWVKTVFLNLLPRVMFMTRPT
SNEGNAQKPRPLYGAELSNLNCFSRAESKGCKEGYPCQDGMCGYCHHRRIKISNFSANLT
RSSSSESVDAVLSLSALSPEIKEAIQSVKYIAENMKAQNEAKEIQDDWKYVAMVIDRIFL
WVFTLVCILGTAGLFLQPLMAREDA
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50081733
n/a
NameBDBM50081733
Synonyms:3-(3-Methyl-isoxazol-5-ylmethylene)-1-aza-bicyclo[2.2.2]octane | 3-[1-(3-Methyl-isoxazol-5-yl)-meth-(Z)-ylidene]-1-aza-bicyclo[2.2.2]octane | CHEMBL58416
TypeSmall organic molecule
Emp. Form.C12H16N2O
Mol. Mass.204.2682
SMILESCc1cc(\C=C2/CN3CCC2CC3)on1 |THB:4:5:11.12:9.8,(26.44,-10.99,;26.13,-9.47,;24.73,-8.83,;24.91,-7.3,;23.77,-6.26,;22.3,-6.71,;22.6,-8.11,;21.23,-7.48,;19.68,-8.13,;19.47,-6.75,;20.96,-6.11,;21.02,-4.47,;21.48,-5.59,;26.43,-6.99,;27.19,-8.35,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: