Reaction Details |
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Target | Acetylcholine receptor subunit alpha/beta/delta/epsilon |
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Ligand | BDBM50235306 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1655336 (CHEMBL4004702) |
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EC50 | >100000±n/a nM |
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Citation | King, D; Iwuagwu, C; Cook, J; McDonald, IM; Mate, R; Zusi, FC; Hill, MD; Fang, H; Zhao, R; Wang, B; Easton, AE; Miller, R; Post-Munson, D; Knox, RJ; Gallagher, L; Westphal, R; Molski, T; Fan, J; Clarke, W; Benitex, Y; Lentz, KA; Denton, R; Morgan, D; Zaczek, R; Lodge, NJ; Bristow, LJ; Macor, JE; Olson, RE BMS-933043, a Selectivea7 nAChR Partial Agonist for the Treatment of Cognitive Deficits Associated with Schizophrenia. ACS Med Chem Lett8:366-371 (2017) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Acetylcholine receptor subunit alpha/beta/delta/epsilon |
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Name: | Acetylcholine receptor subunit alpha/beta/delta/epsilon |
Synonyms: | Nicotinic acetylcholine receptor alpha-1/beta-1/delta/epsilon |
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: | ACHB_RAT | 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: | Acetylcholine receptor subunit alpha |
Synonyms: | ACHA_RAT | Acetylcholine receptor subunit alpha | Acra | Cholinergic, Nicotinic Alpha1Beta1DeltaGamma | Chrna1 |
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: | ACHD_RAT | 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 subunit epsilon |
Synonyms: | ACHE_RAT | Acetylcholine receptor protein epsilon chain | Achre | Chrne |
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 |
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n/a |
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Name | BDBM50235306 |
Synonyms: | CHEMBL4084621 |
Type | Small organic molecule |
Emp. Form. | C16H19N7O |
Mol. Mass. | 325.3684 |
SMILES | C1N=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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