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TargetNicotinic acetylcholine receptor alpha-1/beta-1/delta/epsilon
LigandBDBM50235306
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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BDBM50235306
n/a
NameBDBM50235306
Synonyms:CHEMBL4084621
TypeSmall organic molecule
Emp. Form.C16H19N7O
Mol. Mass.325.3684
SMILESC1N=C(Nc2cc(ncn2)-n2ccnc2)O[C@]11CN2CCC1CC2 |r,wD:16.18,t:1,TLB:0:16:19.20:23.22,THB:15:16:19.20:23.22,(31.2,-13.57,;31.65,-12.09,;30.38,-11.22,;30.34,-9.66,;31.67,-8.85,;31.64,-7.31,;32.95,-6.51,;34.32,-7.25,;34.35,-8.8,;33.03,-9.6,;32.91,-4.97,;31.64,-4.11,;32.08,-2.63,;33.62,-2.59,;34.13,-4.04,;29.15,-12.15,;29.66,-13.6,;30.52,-14.71,;28.75,-15.67,;28.49,-16.79,;27.69,-15.62,;28.18,-14.23,;26.95,-13.14,;27.24,-14.35,)|
Structure
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