Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetNeuronal acetylcholine receptor subunit alpha-3/beta-4
LigandBDBM50387567
Substrate/Competitorn/a
Meas. Tech.ChEMBL_830457 (CHEMBL2061182)
EC50 31000±n/a nM
Citation Strachan, JPFarias, JJZhang, JCaldwell, WSBhatti, BS Diazaspirocyclic compounds as selective ligands for thea4ß2 nicotinic acetylcholine receptor. Bioorg Med Chem Lett22:5089-92 (2012) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Neuronal acetylcholine receptor subunit alpha-3/beta-4
Name:Neuronal acetylcholine receptor subunit alpha-3/beta-4
Synonyms:Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit | Neuronal acetylcholine receptor; alpha3/beta4
Type:n/a
Mol. Mass.:n/a
Description:ASSAY_ID of ChEMBL is 1970247
Components:This complex has 2 components.
Component 1
Name:Neuronal acetylcholine receptor subunit beta-4
Synonyms:ACHB4_HUMAN | CHRNB4 | Cholinergic, Nicotinic Alpha6Beta3Beta4Alpha5 | Integrin alpha-5/Neuronal acetylcholine receptor subunit alpha-3/Neuronal acetylcholine receptor subunit beta-2/Neuronal acetylcholine receptor subunit beta-4 | Nicotinic acetylcholine receptor alpha6/alpha3/beta4
Type:Enzyme Catalytic Domain
Mol. Mass.:56388.51
Organism:Homo sapiens (Human)
Description:Cholinergic, Nicotinic Alpha6Beta3Beta4Alpha5 0 HUMAN::P30926
Residue:498
Sequence:
MRRAPSLVLFFLVALCGRGNCRVANAEEKLMDDLLNKTRYNNLIRPATSSSQLISIKLQL
SLAQLISVNEREQIMTTNVWLKQEWTDYRLTWNSSRYEGVNILRIPAKRIWLPDIVLYNN
ADGTYEVSVYTNLIVRSNGSVLWLPPAIYKSACKIEVKYFPFDQQNCTLKFRSWTYDHTE
IDMVLMTPTASMDDFTPSGEWDIVALPGRRTVNPQDPSYVDVTYDFIIKRKPLFYTINLI
IPCVLTTLLAILVFYLPSDCGEKMTLCISVLLALTFFLLLISKIVPPTSLDVPLIGKYLM
FTMVLVTFSIVTSVCVLNVHHRSPSTHTMAPWVKRCFLHKLPTFLFMKRPGPDSSPARAF
PPSKSCVTKPEATATSTSPSNFYGNSMYFVNPASAASKSPAGSTPVAIPRDFWLRSSGRF
RQDVQEALEGVSFIAQHMKNDDEDQSVVEDWKYVAMVVDRLFLWVFMFVCVLGTVGLFLP
PLFQTHAASEGPYAAQRD
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
Component 2
Name:Neuronal acetylcholine receptor subunit alpha-3
Synonyms:ACHA3_HUMAN | CHRNA3 | Cholinergic, Nicotinic Alpha3Beta2 | Cholinergic, Nicotinic Alpha3Beta4 | Cholinergic, Nicotinic Alpha3Beta4x | Integrin alpha-5/Neuronal acetylcholine receptor subunit alpha-3/Neuronal acetylcholine receptor subunit beta-2/Neuronal acetylcholine receptor subunit beta-4 | NACHRA3 | 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:
BDBM50387567
n/a
NameBDBM50387567
Synonyms:CHEMBL2057712
TypeSmall organic molecule
Emp. Form.C14H19N3
Mol. Mass.229.3208
SMILESC1CN2CC1CC21CCN(C1)c1cccnc1 |TLB:10:6:1.0:3,THB:7:6:1.0:3|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: