| Reaction Details |
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 | Report a problem with these data |
| Target | Acetylcholine receptor subunit alpha/beta/delta/epsilon |
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| Ligand | BDBM50238584 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1663458 (CHEMBL4013139) |
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| IC50 | >10000±n/a nM |
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| Citation |  Wu, Y; Zhangsun, D; Zhu, X; Kaas, Q; Zhangsun, M; Harvey, PJ; Craik, DJ; McIntosh, JM; Luo, S a-Conotoxin [S9A]TxID Potently Discriminates betweena3ß4 anda6/a3ß4 Nicotinic Acetylcholine Receptors. J Med Chem60:5826-5833 (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 |
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| Synonyms: | Nicotinic acetylcholine receptor alpha1/beta1/epsilon/delta |
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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 1285309 |
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| Components: | This complex has 4 components. |
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| Component 1 |
| Name: | Acetylcholine receptor subunit alpha |
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| Synonyms: | ACHA_MOUSE | Acetylcholine receptor subunit alpha | Acra | Chrna1 | n-AChR |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 51932.98 |
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| Organism: | MOUSE |
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| Description: | n-AChR 0 MOUSE::P04756 |
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| Residue: | 457 |
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| Sequence: | MELSTVLLLLGLCSAGLVLGSEHETRLVAKLFEDYSSVVRPVEDHREIVQVTVGLQLIQL
INVDEVNQIVTTNVRLKQQWVDYNLKWNPDDYGGVKKIHIPSEKIWRPDVVLYNNADGDF
AIVKFTKVLLDYTGHITWTPPAIFKSYCEIIVTHFPFDEQNCSMKLGTWTYDGSVVAINP
ESDQPDLSNFMESGEWVIKEARGWKHWVFYSCCPTTPYLDITYHFVMQRLPLYFIVNVII
PCLLFSFLTSLVFYLPTDSGEKMTLSISVLLSLTVFLLVIVELIPSTSSAVPLIGKYMLF
TMVFVIASIIITVIVINTHHRSPSTHIMPEWVRKVFIDTIPNIMFFSTMKRPSRDKQEKR
IFTEDIDISDISGKPGPPPMGFHSPLIKHPEVKSAIEGVKYIAETMKSDQESNNAAEEWK
YVAMVMDHILLGVFMLVCLIGTLAVFAGRLIELHQQG
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| Component 2 |
| Name: | Acetylcholine receptor subunit beta |
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| Synonyms: | ACHB_MOUSE | Acetylcholine receptor protein beta chain | Acrb | Chrnb1 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 56919.84 |
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| Organism: | Mus musculus |
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| Description: | EBI_11803 |
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| Residue: | 501 |
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| Sequence: | MALGALLLLLGVLGTPLAPGARGSEAEGQLIKKLFSNYDSSVRPAREVGDRVGVSIGLTL
AQLISLNEKDEEMSTKVYLDLEWTDYRLSWDPAEHDGIDSLRITAESVWLPDVVLLNNND
GNFDVALDINVVVSFEGSVRWQPPGLYRSSCSIQVTYFPFDWQNCTMVFSSYSYDSSEVS
LKTGLDPEGEERQEVYIHEGTFIENGQWEIIHKPSRLIQLPGDQRGGKEGHHEEVIFYLI
IRRKPLFYLVNVIAPCILITLLAIFVFYLPPDAGEKMGLSIFALLTLTVFLLLLADKVPE
TSLAVPIIIKYLMFTMVLVTFSVILSVVVLNLHHRSPHTHQMPFWVRQIFIHKLPPYLGL
KRPKPERDQLPEPHHSLSPRSGWGRGTDEYFIRKPPSDFLFPKLNRFQPESSAPDLRRFI
DGPTRAVGLPQELREVISSISYMARQLQEQEDHDALKEDWQFVAMVVDRLFLWTFIVFTS
VGTLVIFLDATYHLPPPEPFP
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| Component 3 |
| Name: | Acetylcholine receptor subunit epsilon |
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| Synonyms: | ACHE_MOUSE | Acre | Chrne |
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| Type: | PROTEIN |
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| Mol. Mass.: | 54899.98 |
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| Organism: | Mus musculus |
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| Description: | ChEMBL_108120 |
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| Residue: | 493 |
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| Sequence: | MAGALLGALLLLTLFGRSQGKNEELSLYHHLFDNYDPECRPVRRPEDTVTITLKVTLTNL
ISLNEKEETLTTSVWIGIDWHDYRLNYSKDDFAGVGILRVPSEHVWLPEIVLENNIDGQF
GVAYDSNVLVYEGGYVSWLPPAIYRSTCAVEVTYFPFDWQNCSLIFRSQTYNAEEVEFIF
AVDDDGNTINKIDIDTAAFTENGEWAIDYCPGMIRRYEGGSTEGPGETDVIYTLIIRRKP
LFYVINIIVPCVLISGLVLLAYFLPAQAGGQKCTVSINVLLAQTVFLFLIAQKIPETSLS
VPLLGRYLIFVMVVATLIVMNCVIVLNVSLRTPTTHATSPRLRQILLELLPRLLGSSPPP
EDPRTASPARRASSVGILLRAEELILKKPRSELVFEGQRHRHGTWTAALCQNLGAAAPEI
RCCVDAVNFVAESTRDQEATGEELSDWVRMGKALDNVCFWAALVLFSVGSTLIFLGGYFN
QVPDLPYPPCIQP
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| Component 4 |
| Name: | Acetylcholine receptor subunit delta |
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| Synonyms: | ACHD_MOUSE | Acetylcholine receptor protein delta chain | Acrd | Chrnd |
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| Type: | PROTEIN |
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| Mol. Mass.: | 59138.17 |
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| Organism: | Mus musculus |
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| Description: | EBI_100149 |
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| Residue: | 520 |
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| Sequence: | MAGPVLTLGLLAALVVCALPGSWGLNEEQRLIQHLFNEKGYDKDLRPVARKEDKVDVALS
LTLSNLISLKEVEETLTTNVWIDHAWVDSRLQWDANDFGNITVLRLPPDMVWLPEIVLEN
NNDGSFQISYACNVLVYDSGYVTWLPPAIFRSSCPISVTYFPFDWQNCSLKFSSLKYTAK
EITLSLKQEEENNRSYPIEWIIIDPEGFTENGEWEIVHRAAKLNVDPSVPMDSTNHQDVT
FYLIIRRKPLFYIINILVPCVLISFMINLVFYLPGDCGEKTSVAISVLLAQSVFLLLISK
RLPATSMAIPLVGKFLLFGMVLVTMVVVICVIVLNIHFRTPSTHVLSEGVKKFFLETLPK
LLHMSRPAEEDPGPRALIRRSSSLGYICKAEEYFSLKSRSDLMFEKQSERHGLARRLTTA
RRPPASSEQVQQELFNEMKPAVDGANFIVNHMRDQNSYNEEKDNWNQVARTVDRLCLFVV
TPVMVVGTAWIFLQGVYNQPPLQPFPGDPFSYSEQDKRFI
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| BDBM50238584 |
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| n/a |
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| Name | BDBM50238584 |
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| Synonyms: | CHEMBL4089797 |
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| Type | Small organic molecule |
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| Emp. Form. | C59H94N18O17S5 |
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| Mol. Mass. | 1487.813 |
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| SMILES | CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCCSC)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2 |r| |
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| Structure | 
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