Reaction Details |
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Target | Acetylcholine receptor subunit alpha/beta/delta/gamma |
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Ligand | BDBM50190783 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_369002 (CHEMBL870261) |
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IC50 | >100000±n/a nM |
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Citation | Wishka, DG; Walker, DP; Yates, KM; Reitz, SC; Jia, S; Myers, JK; Olson, KL; Jacobsen, EJ; Wolfe, ML; Groppi, VE; Hanchar, AJ; Thornburgh, BA; Cortes-Burgos, LA; Wong, EH; Staton, BA; Raub, TJ; Higdon, NR; Wall, TM; Hurst, RS; Walters, RR; Hoffmann, WE; Hajos, M; Franklin, S; Carey, G; Gold, LH; Cook, KK; Sands, SB; Zhao, SX; Soglia, JR; Kalgutkar, AS; Arneric, SP; Rogers, BN Discovery of N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]furo[2,3-c]pyridine-5-carboxamide, an agonist of the alpha7 nicotinic acetylcholine receptor, for the potential treatment of cognitive deficits in schizophrenia: synthesis and structure--activity relationship. J Med Chem49:4425-36 (2006) [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/gamma |
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Name: | Acetylcholine receptor subunit alpha/beta/delta/gamma |
Synonyms: | Acetylcholine receptor protein alpha chain/beta chain/delta chain /gamma chain | Acetylcholine receptor; alpha1/beta1/delta/gamma |
Type: | n/a |
Mol. Mass.: | n/a |
Description: | ASSAY_ID of EBI is 369002 |
Components: | This complex has 4 components. |
Component 1 |
Name: | Acetylcholine receptor subunit alpha |
Synonyms: | ACHA_HUMAN | ACHRA | Acetylcholine receptor protein alpha chain | Acetylcholine receptor subunit alpha | CHNRA | CHRNA1 | Cholinergic, Nicotinic Alpha1Beta1DeltaGamma | Cholinergic, Nicotinic Alpha1Beta2 | Nicotinic acetylcholine receptor alpha-1/beta-1 | Nicotinic acetylcholine receptor alpha-1/beta-1/delta/epsilon | Nicotinic acetylcholine receptor alpha2/beta4 | alpha-1 Nicotinic AChR | n-AChR |
Type: | Ion channel |
Mol. Mass.: | 54542.01 |
Organism: | Homo sapiens (Human) |
Description: | n/a |
Residue: | 482 |
Sequence: | MEPWPLLLLFSLCSAGLVLGSEHETRLVAKLFKDYSSVVRPVEDHRQVVEVTVGLQLIQL
INVDEVNQIVTTNVRLKQGDMVDLPRPSCVTLGVPLFSHLQNEQWVDYNLKWNPDDYGGV
KKIHIPSEKIWRPDLVLYNNADGDFAIVKFTKVLLQYTGHITWTPPAIFKSYCEIIVTHF
PFDEQNCSMKLGTWTYDGSVVAINPESDQPDLSNFMESGEWVIKESRGWKHSVTYSCCPD
TPYLDITYHFVMQRLPLYFIVNVIIPCLLFSFLTGLVFYLPTDSGEKMTLSISVLLSLTV
FLLVIVELIPSTSSAVPLIGKYMLFTMVFVIASIIITVIVINTHHRSPSTHVMPNWVRKV
FIDTIPNIMFFSTMKRPSREKQDKKIFTEDIDISDISGKPGPPPMGFHSPLIKHPEVKSA
IEGIKYIAETMKSDQESNNAAAEWKYVAMVMDHILLGVFMLVCIIGTLAVFAGRLIELNQ
QG
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Component 2 |
Name: | Acetylcholine receptor subunit beta |
Synonyms: | ACHB_HUMAN | ACHRB | Acetylcholine receptor subunit beta | CHRNB | CHRNB1 | Nicotinic acetylcholine receptor alpha-1/beta-1/delta/epsilon |
Type: | PROTEIN |
Mol. Mass.: | 56691.23 |
Organism: | Homo sapiens (Human) |
Description: | EBI_10924 |
Residue: | 501 |
Sequence: | MTPGALLMLLGALGAPLAPGVRGSEAEGRLREKLFSGYDSSVRPAREVGDRVRVSVGLIL
AQLISLNEKDEEMSTKVYLDLEWTDYRLSWDPAEHDGIDSLRITAESVWLPDVVLLNNND
GNFDVALDISVVVSSDGSVRWQPPGIYRSSCSIQVTYFPFDWQNCTMVFSSYSYDSSEVS
LQTGLGPDGQGHQEIHIHEGTFIENGQWEIIHKPSRLIQPPGDPRGGREGQRQEVIFYLI
IRRKPLFYLVNVIAPCILITLLAIFVFYLPPDAGEKMGLSIFALLTLTVFLLLLADKVPE
TSLSVPIIIKYLMFTMVLVTFSVILSVVVLNLHHRSPHTHQMPLWVRQIFIHKLPLYLRL
KRPKPERDLMPEPPHCSSPGSGWGRGTDEYFIRKPPSDFLFPKPNRFQPELSAPDLRRFI
DGPNRAVALLPELREVVSSISYIARQLQEQEDHDALKEDWQFVAMVVDRLFLWTFIIFTS
VGTLVIFLDATYHLPPPDPFP
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Component 3 |
Name: | Acetylcholine receptor subunit gamma |
Synonyms: | ACHG_HUMAN | ACHRG | Acetylcholine receptor subunit gamma | CHRNG | Muscle-type nicotinic acetylcholine receptor |
Type: | PROTEIN |
Mol. Mass.: | 57880.69 |
Organism: | Homo sapiens (Human) |
Description: | EBI_11211 |
Residue: | 517 |
Sequence: | MHGGQGPLLLLLLLAVCLGAQGRNQEERLLADLMQNYDPNLRPAERDSDVVNVSLKLTLT
NLISLNEREEALTTNVWIEMQWCDYRLRWDPRDYEGLWVLRVPSTMVWRPDIVLENNVDG
VFEVALYCNVLVSPDGCIYWLPPAIFRSACSISVTYFPFDWQNCSLIFQSQTYSTNEIDL
QLSQEDGQTIEWIFIDPEAFTENGEWAIQHRPAKMLLDPAAPAQEAGHQKVVFYLLIQRK
PLFYVINIIAPCVLISSVAILIHFLPAKAGGQKCTVAINVLLAQTVFLFLVAKKVPETSQ
AVPLISKYLTFLLVVTILIVVNAVVVLNVSLRSPHTHSMARGVRKVFLRLLPQLLRMHVR
PLAPAAVQDTQSRLQNGSSGWSITTGEEVALCLPRSELLFQQWQRQGLVAAALEKLEKGP
ELGLSQFCGSLKQAAPAIQACVEACNLIACARHQQSHFDNGNEEWFLVGRVLDRVCFLAM
LSLFICGTAGIFLMAHYNRVPALPFPGDPRPYLPSPD
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Component 4 |
Name: | Acetylcholine receptor subunit delta |
Synonyms: | ACHD_HUMAN | ACHRD | Acetylcholine receptor protein delta chain | CHRND | Muscle-type nicotinic acetylcholine receptor | Nicotinic acetylcholine receptor alpha-1/beta-1/delta/epsilon |
Type: | PROTEIN |
Mol. Mass.: | 58894.39 |
Organism: | Homo sapiens (Human) |
Description: | ChEMBL_142595 |
Residue: | 517 |
Sequence: | MEGPVLTLGLLAALAVCGSWGLNEEERLIRHLFQEKGYNKELRPVAHKEESVDVALALTL
SNLISLKEVEETLTTNVWIEHGWTDNRLKWNAEEFGNISVLRLPPDMVWLPEIVLENNND
GSFQISYSCNVLVYHYGFVYWLPPAIFRSSCPISVTYFPFDWQNCSLKFSSLKYTAKEIT
LSLKQDAKENRTYPVEWIIIDPEGFTENGEWEIVHRPARVNVDPRAPLDSPSRQDITFYL
IIRRKPLFYIINILVPCVLISFMVNLVFYLPADSGEKTSVAISVLLAQSVFLLLISKRLP
ATSMAIPLIGKFLLFGMVLVTMVVVICVIVLNIHFRTPSTHVLSEGVKKLFLETLPELLH
MSRPAEDGPSPGALVRRSSSLGYISKAEEYFLLKSRSDLMFEKQSERHGLARRLTTARRP
PASSEQAQQELFNELKPAVDGANFIVNHMRDQNNYNEEKDSWNRVARTVDRLCLFVVTPV
MVVGTAWIFLQGVYNQPPPQPFPGDPYSYNVQDKRFI
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BDBM50190783 |
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n/a |
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Name | BDBM50190783 |
Synonyms: | CHEMBL379302 | N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]-1-benzofuran-6-carboxamide |
Type | Small organic molecule |
Emp. Form. | C16H18N2O2 |
Mol. Mass. | 270.3263 |
SMILES | O=C(N[C@H]1CN2CCC1CC2)c1ccc2ccoc2c1 |wU:3.2,(27.6,-12.86,;27.61,-14.4,;28.95,-15.16,;30.28,-14.39,;30.27,-12.85,;31.61,-12.08,;32.95,-12.85,;32.94,-14.39,;31.62,-15.16,;30.74,-14.01,;31.56,-13.22,;26.28,-15.18,;26.29,-16.73,;24.94,-17.5,;23.61,-16.73,;22.15,-17.2,;21.24,-15.96,;22.15,-14.71,;23.61,-15.19,;24.94,-14.41,)| |
Structure |
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