Reaction Details Report a problem with these data
Target
Acetylcholine receptor subunit alpha/Neuronal acetylcholine receptor subunit beta-2
Ligand
BDBM50435344
Substrate
n/a
Meas. Tech.
ChEMBL_964980 (CHEMBL2396013)
Ki
>10000±n/a nM
Citation
 Arunotayanun, W; Dalley, JW; Huang, XP; Setola, V; Treble, R; Iversen, L; Roth, BL; Gibbons, S An analysis of the synthetic tryptamines AMT and 5-MeO-DALT: emerging 'Novel Psychoactive Drugs'. Bioorg Med Chem Lett 23:3411-5 (2013) [PubMed]  Article 
Target
Name:
Acetylcholine receptor subunit alpha/Neuronal acetylcholine receptor subunit beta-2
Synonyms:
Nicotinic acetylcholine receptor alpha2/beta2
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 964980
Components:
This complex has 2 components.
Component 1
Name:
Acetylcholine receptor subunit alpha
Synonyms:
Acetylcholine receptor subunit alpha | n-AChR | Acetylcholine receptor protein alpha chain | Nicotinic acetylcholine receptor alpha2/beta4 | Cholinergic, Nicotinic Alpha1Beta1DeltaGamma | Cholinergic, Nicotinic Alpha1Beta2 | ACHA_HUMAN | CHRNA1 | ACHRA | CHNRA | Nicotinic acetylcholine receptor alpha-1/beta-1/delta/epsilon | Nicotinic acetylcholine receptor alpha-1/beta-1 | alpha-1 Nicotinic AChR
Type:
Ion channel
Mol. Mass.:
54542.01
Organism:
Human
Description:
n/a
Residue:
482
Sequence:
MEPWPLLLLFSLCSAGLVLGSEHETRLVAKLFKDYSSVVRPVEDHRQVVEVTVGLQLIQLINVDEVNQIVTTNVRLKQGDMVDLPRPSCVTLGVPLFSHLQNEQWVDYNLKWNPDDYGGVKKIHIPSEKIWRPDLVLYNNADGDFAIVKFTKVLLQYTGHITWTPPAIFKSYCEIIVTHFPFDEQNCSMKLGTWTYDGSVVAINPESDQPDLSNFMESGEWVIKESRGWKHSVTYSCCPDTPYLDITYHFVMQRLPLYFIVNVIIPCLLFSFLTGLVFYLPTDSGEKMTLSISVLLSLTVFLLVIVELIPSTSSAVPLIGKYMLFTMVFVIASIIITVIVINTHHRSPSTHVMPNWVRKVFIDTIPNIMFFSTMKRPSREKQDKKIFTEDIDISDISGKPGPPPMGFHSPLIKHPEVKSAIEGIKYIAETMKSDQESNNAAAEWKYVAMVMDHILLGVFMLVCIIGTLAVFAGRLIELNQQG
  
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:
BDBM50435344
Synonyms:
CHEMBL2391541
Type:
Small organic molecule
Emp. Form.:
C17H22N2O
Mol. Mass.:
270.37
SMILES:
COc1ccc2[nH]cc(CCN(CC=C)CC=C)c2c1
Structure:
Search PDB for entries with ligand similarity: