| Reaction Details |
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 | Report a problem with these data |
| Target | Acetylcholine receptor subunit alpha/beta/delta/gamma |
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| Ligand | BDBM50547500 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2018489 (CHEMBL4672067) |
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| IC50 | 6.6±n/a nM |
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| Citation |  Giribaldi, J; Haufe, Y; Evans, ERJ; Amar, M; Durner, A; Schmidt, C; Faucherre, A; Moha Ou Maati, H; Enjalbal, C; Molgó, J; Servent, D; Wilson, DT; Daly, NL; Nicke, A; Dutertre, S Backbone Cyclization Turns a Venom Peptide into a Stable and Equipotent Ligand at Both Muscle and Neuronal Nicotinic Receptors. J Med Chem63:12682-12692 (2020) [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 |
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| Synonyms: | CHRNA1/CHRNB1/CHRNG/CHRND |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of ChEMBL is 2018489 |
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| Components: | This complex has 4 components. |
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| Component 1 |
| Name: | Acetylcholine receptor subunit beta |
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| Synonyms: | ACHB_RAT | Acetylcholine receptor subunit beta | Acrb | Chrnb1 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 57017.04 |
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| Organism: | Rattus norvegicus |
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| Description: | ChEMBL_117053 |
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| Residue: | 501 |
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| Sequence: | MALGALLLILGILGTPLAPGARGSEAEGQLLKKLFSDYDSSVRPAQEVGDRVGVSIGLTL
AQLISLNEKDEEMSTKVYLDLEWTDYRLSWDPAEHDGIESLRVTAESVWLPDVVLLNNND
GNFDVALDINVVVSFEGSVRWQPPGLYRSSCSIQVTYFPFDWQNCTMVFSSYSYDSSEVS
LKTGPDPDGQERQEIYIHEGTFIENGQWEIIHKPSRLIHLPGDRRGGKEGHREEVIFYLI
IRRKPLFYLVNVIAPCILITLLAIFVFYLPPDAGEKMGLSIFALLTLTVFLLLLADKVPE
TSLAVPIIIKYLMFTMILVTFSVILSVVVLNLHHRSPHTHQMPFWVRQIFIHKLPPYLGL
KRPKPERDQLPEPHHSFSPRSGWGRGTDEYFIRKPPCDFLFPKLNRFQPESPAPDLRRFI
DGPPRAVGLPQELREVISSISYMARQLQEQEDHDALKEDWQFVAMVVDRLFLWTFIVFTS
VGTLVIFLDATYHLPPPEPFP
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| Component 2 |
| Name: | Acetylcholine receptor subunit alpha |
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| Synonyms: | ACHA_RAT | Acetylcholine receptor subunit alpha | Acra | Cholinergic, Nicotinic Alpha1Beta1DeltaGamma | Chrna1 |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 51863.95 |
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| Organism: | RAT |
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| Description: | Cholinergic, Nicotinic Alpha1Beta1DeltaGamma 0 RAT::P25108 |
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| Residue: | 457 |
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| Sequence: | MELTAVLLLLGLCSAGTVLGSEHETRLVAKLFKDYSSVVRPVGDHREIVQVTVGLQLIQL
INVDEVNQIVTTNVRLKQQWVDYNLKWNPDDYGGVKKIHIPSEKIWRPDVVLYNNADGDF
AIVKFTKVLLDYTGHITWTPPAIFKSYCEIIVTHFPFDEQNCSMKLGTWTYDGSVVAINP
ESDQPDLSNFMESGEWVIKEARGWKHWVFYSCCPNTPYLDITYHFVMQRLPLYFIVNVII
PCLLFSFLTSLVFYLPTDSGEKMTLSISVLLSLTVFLLVIVELIPSTSSAVPLIGKYMLF
TMVFVIASIIITVIVINTHHRSPSTHIMPEWVRKVFIDTIPNIMFFSTMKRPSRDKQEKR
IFTEDIDISDISGKPGPPPMGFHSPLIKHPEVKSAIEGVKYIAETMKSDQESNNASEEWK
YVAMVMDHILLGVFMLVCLIGTLAVFAGRLIELHQQG
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| Component 3 |
| Name: | Acetylcholine receptor subunit delta |
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| Synonyms: | ACHD_RAT | Acetylcholine receptor subunit delta | Acrd | Chrnd |
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| Type: | PROTEIN |
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| Mol. Mass.: | 58877.21 |
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| Organism: | Rattus norvegicus |
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| Description: | ChEMBL_117053 |
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| Residue: | 517 |
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| Sequence: | MAGPVPTLGLLAALVVCGSWGLNEEQRLIQHLFEEKGYNKELRPVARKEDIVDVALSLTL
SNLISLKEVEETLTTNVWIDHAWIDSRLQWNANEFGNITVLRLPSDMVWLPEIVLENNND
GSFQISYACNVLVSDSGHVTWLPPAIFRSSCPISVTYFPFDWQNCSLKFSSLKYTAKEIR
LSLKQEEEDNRSYPIEWIIIDPEGFTENGEWEIVHRAAKVNVDPSVPMDSTNHQDVTFYL
IIRRKPLFYIINILVPCVLISFMINLVFYLPGDCGEKTSVAISVLLAQSVFLLLISKRLP
ATSMAIPLVGKFLLFGMVLVTMVVVICVIVLNIHFRTPSTHVLSEGVKKFFLETLPKLLH
MSRPEEEDPGPRALIRRTSSLGYISKAEEYFSLKSRSDLMFEKQSERHGLARRLTTARKP
PASSEQVQQELFNEMKPAVDGANFIVNHMRDQNSYNEEKDNWNQVARTVDRLCLFVVTPV
MVVGTAWIFLQGVYNQPPPQPFPGDPFSYDEQDRRFI
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| Component 4 |
| Name: | Acetylcholine receptor subunit gamma |
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| Synonyms: | ACHG_RAT | Acetylcholine receptor subunit gamma | Achrg | Chrng |
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| Type: | PROTEIN |
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| Mol. Mass.: | 58622.01 |
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| Organism: | Rattus norvegicus |
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| Description: | ChEMBL_119375 |
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| Residue: | 519 |
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| Sequence: | MHGGQGPQLLLLLLATCLGAQSRNQEERLLADLMRNYDPHLRPAERDSDVVNVSLKLTLT
NLISLNEREEALTTNVWIEMQWCDYRLRWDPKDYEGLWILRVPSTMVWQPDIVLGNNVDG
VFEVALYCNVLVSPDGCIYWLPPAIFRSSCSISVTYFPFDWQNCSLVFQSQTYSTSEINL
QLSQEDGQAIEWIFIDPEAFTENGEWAIRHRPAKMLLDPVTPAEEAGHQKVVFYLLIQRK
PLFYVINIIVPCVLISSVAILIYFLPAKAGGQKCTVATNVLLAQTVFLFLVAKKVPETSQ
AVPLISKYLTFLMVVTILIVVNSVVVLNVSLRSPHTHSMARGVRKVFLRLLPQLLRMHVH
PRAPAAVQDARLRLQNGSSSGWPIMTREEGDLCLPRSELLFRQRQRNGLVQAVLEKLENG
PEMRQSQEFCGSLKQASPAIQACVDACNLMARARHQQSHFDSGNEEWLLVGRVLDRVCFL
AMLSLFICGTAGIFLMAHYNQVPDLPFPGDPRPYLPLPD
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| BDBM50547500 |
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| n/a |
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| Name | BDBM50547500 |
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| Synonyms: | CHEMBL4759352 |
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| Type | Small organic molecule |
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| Emp. Form. | C64H95N25O17S4 |
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| Mol. Mass. | 1614.856 |
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| SMILES | [H][C@@]12CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3c[nH]cn3)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](N)CC(N)=O)C(=O)N1)NC(=O)[C@H](C)NC2=O)C(N)=O |r| |
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| Structure | 
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