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TargetNicotinic acetylcholine receptor alpha-1/beta-1/delta/epsilon
LigandBDBM50206243
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1655336
EC50>100000±n/a nM
Citation King DIwuagwu CCook JMcDonald IMMate RZusi FCHill MDFang HZhao RWang BEaston AEMiller RPost-Munson DKnox RJGallagher LWestphal RMolski TFan JClarke WBenitex YLentz KADenton RMorgan DZaczek RLodge NJBristow LJMacor JEOlson RE BMS-933043, a Selectivea7 nAChR Partial Agonist for the Treatment of Cognitive Deficits Associated with Schizophrenia. ACS Med Chem Lett 8:366-371 (2017) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Nicotinic acetylcholine receptor alpha-1/beta-1/delta/epsilon
Name:Nicotinic acetylcholine receptor alpha-1/beta-1/delta/epsilon
Synonyms:n/a
Type:n/a
Mol. Mass.:n/a
Description:ASSAY_ID of ChEMBL is 1636037
Components:This complex has 4 components.
Component 1
Name:Acetylcholine receptor subunit beta
Synonyms:Acetylcholine receptor subunit beta | Acrb | Chrnb1
Type:PROTEIN
Mol. Mass.:57017.04
Organism:Rattus norvegicus
Description:ChEMBL_117053
Residue:501
Sequence:
MALGALLLILGILGTPLAPGARGSEAEGQLLKKLFSDYDSSVRPAQEVGDRVGVSIGLTL
AQLISLNEKDEEMSTKVYLDLEWTDYRLSWDPAEHDGIESLRVTAESVWLPDVVLLNNND
GNFDVALDINVVVSFEGSVRWQPPGLYRSSCSIQVTYFPFDWQNCTMVFSSYSYDSSEVS
LKTGPDPDGQERQEIYIHEGTFIENGQWEIIHKPSRLIHLPGDRRGGKEGHREEVIFYLI
IRRKPLFYLVNVIAPCILITLLAIFVFYLPPDAGEKMGLSIFALLTLTVFLLLLADKVPE
TSLAVPIIIKYLMFTMILVTFSVILSVVVLNLHHRSPHTHQMPFWVRQIFIHKLPPYLGL
KRPKPERDQLPEPHHSFSPRSGWGRGTDEYFIRKPPCDFLFPKLNRFQPESPAPDLRRFI
DGPPRAVGLPQELREVISSISYMARQLQEQEDHDALKEDWQFVAMVVDRLFLWTFIVFTS
VGTLVIFLDATYHLPPPEPFP
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Component 2
Name:Cholinergic, Nicotinic Alpha1Beta1DeltaGamma
Synonyms:Acetylcholine receptor subunit alpha
Type:Enzyme Catalytic Domain
Mol. Mass.:51863.95
Organism:RAT
Description:Cholinergic, Nicotinic Alpha1Beta1DeltaGamma 0 RAT::P25108
Residue:457
Sequence:
MELTAVLLLLGLCSAGTVLGSEHETRLVAKLFKDYSSVVRPVGDHREIVQVTVGLQLIQL
INVDEVNQIVTTNVRLKQQWVDYNLKWNPDDYGGVKKIHIPSEKIWRPDVVLYNNADGDF
AIVKFTKVLLDYTGHITWTPPAIFKSYCEIIVTHFPFDEQNCSMKLGTWTYDGSVVAINP
ESDQPDLSNFMESGEWVIKEARGWKHWVFYSCCPNTPYLDITYHFVMQRLPLYFIVNVII
PCLLFSFLTSLVFYLPTDSGEKMTLSISVLLSLTVFLLVIVELIPSTSSAVPLIGKYMLF
TMVFVIASIIITVIVINTHHRSPSTHIMPEWVRKVFIDTIPNIMFFSTMKRPSRDKQEKR
IFTEDIDISDISGKPGPPPMGFHSPLIKHPEVKSAIEGVKYIAETMKSDQESNNASEEWK
YVAMVMDHILLGVFMLVCLIGTLAVFAGRLIELHQQG
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Component 3
Name:Acetylcholine receptor subunit delta
Synonyms:Acetylcholine receptor subunit delta | Acrd | Chrnd
Type:PROTEIN
Mol. Mass.:58877.21
Organism:Rattus norvegicus
Description:ChEMBL_117053
Residue:517
Sequence:
MAGPVPTLGLLAALVVCGSWGLNEEQRLIQHLFEEKGYNKELRPVARKEDIVDVALSLTL
SNLISLKEVEETLTTNVWIDHAWIDSRLQWNANEFGNITVLRLPSDMVWLPEIVLENNND
GSFQISYACNVLVSDSGHVTWLPPAIFRSSCPISVTYFPFDWQNCSLKFSSLKYTAKEIR
LSLKQEEEDNRSYPIEWIIIDPEGFTENGEWEIVHRAAKVNVDPSVPMDSTNHQDVTFYL
IIRRKPLFYIINILVPCVLISFMINLVFYLPGDCGEKTSVAISVLLAQSVFLLLISKRLP
ATSMAIPLVGKFLLFGMVLVTMVVVICVIVLNIHFRTPSTHVLSEGVKKFFLETLPKLLH
MSRPEEEDPGPRALIRRTSSLGYISKAEEYFSLKSRSDLMFEKQSERHGLARRLTTARKP
PASSEQVQQELFNEMKPAVDGANFIVNHMRDQNSYNEEKDNWNQVARTVDRLCLFVVTPV
MVVGTAWIFLQGVYNQPPPQPFPGDPFSYDEQDRRFI
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Component 4
Name:Acetylcholine receptor protein epsilon chain
Synonyms:n/a
Type:PROTEIN
Mol. Mass.:54930.09
Organism:Rattus norvegicus
Description:ChEMBL_1292388
Residue:494
Sequence:
MTMALLGTLLLLALFGRSQGKNEELSLYHHLFDNYDPECRPVRRPEDTVTITLKVTLTNL
ISLNEKEETLTTSVWIGIEWQDYRLNFSKDDFAGVEILRVPSEHVWLPEIVLENNIDGQF
GVAYDCNVLVYEGGSVSWLPPAIYRSTCAVEVTYFPFDWQNCSLIFRSQTYNAEEVELIF
AVDDDGNAINKIDIDTAAFTENGEWAIDYCPGMIRHYEGGSTEDPGETDVIYTLIIRRKP
LFYVINIIVPCVLISGLVLLAYFLPAQAGGQKCTVSINVLLAQTVFLFLIAQKIPETSLS
VPLLGRYLIFVMVVATLIVMNCVIVLNVSLRTPTTHATSPRLRQILLELLPRLLGLSPPP
EDPGAASPARRASSVGILLRAEELILKKPRSELVFEGQRHRHGTWTAAALCQNLGAAAPE
VRCCVDAVNFVAESTRDQEATGEELSDWVRMGKALDNVCFWAALVLFSVGSTLIFLGGYF
NQVPDLPYPPCIQP
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BDBM50206243
n/a
NameBDBM50206243
Synonyms:CHEMBL3918431
TypeSmall organic molecule
Emp. Form.C18H20N4O
Mol. Mass.308.3776
SMILESC1N=C(Nc2cc3ccccc3cn2)O[C@]11CN2CCC1CC2 |r,wU:15.16,t:1,TLB:14:15:18.19:22.21,THB:0:15:18.19:22.21,(17.63,-8.02,;19,-7.33,;18.76,-5.81,;19.85,-4.72,;21.34,-5.11,;22.41,-4.02,;23.9,-4.41,;24.98,-3.32,;26.47,-3.71,;26.88,-5.2,;25.79,-6.3,;24.3,-5.9,;23.22,-7,;21.73,-6.6,;17.24,-5.56,;16.54,-6.93,;15.8,-8.21,;14.52,-7.62,;14.52,-5.71,;15.36,-4.63,;15.36,-6.25,;13.79,-6.93,;13,-8.11,)|
Structure
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