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Target
Acetylcholine receptor subunit alpha/beta/delta/epsilon
Ligand
BDBM50445331
Substrate
n/a
Meas. Tech.
ChEMBL_1285309 (CHEMBL3107559)
IC50
>10000±n/a nM
Citation
 Luo, S; Zhangsun, D; Zhu, X; Wu, Y; Hu, Y; Christensen, S; Harvey, PJ; Akcan, M; Craik, DJ; McIntosh, JM Characterization of a novela-conotoxin TxID from Conus textile that potently blocks rata3ß4 nicotinic acetylcholine receptors. J Med Chem 56:9655-63 (2014) [PubMed]  Article 
Target
Name:
Acetylcholine receptor subunit alpha/beta/delta/epsilon
Synonyms:
Nicotinic acetylcholine receptor alpha1/beta1/epsilon/delta
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 1285309
Components:
This complex has 4 components.
Component 1
Name:
Acetylcholine receptor subunit alpha
Synonyms:
ACHA_MOUSE | Acetylcholine receptor subunit alpha | Acra | Chrna1 | n-AChR
Type:
Enzyme Catalytic Domain
Mol. Mass.:
51932.98
Organism:
MOUSE
Description:
n-AChR 0 MOUSE::P04756
Residue:
457
Sequence:
MELSTVLLLLGLCSAGLVLGSEHETRLVAKLFEDYSSVVRPVEDHREIVQVTVGLQLIQLINVDEVNQIVTTNVRLKQQWVDYNLKWNPDDYGGVKKIHIPSEKIWRPDVVLYNNADGDFAIVKFTKVLLDYTGHITWTPPAIFKSYCEIIVTHFPFDEQNCSMKLGTWTYDGSVVAINPESDQPDLSNFMESGEWVIKEARGWKHWVFYSCCPTTPYLDITYHFVMQRLPLYFIVNVIIPCLLFSFLTSLVFYLPTDSGEKMTLSISVLLSLTVFLLVIVELIPSTSSAVPLIGKYMLFTMVFVIASIIITVIVINTHHRSPSTHIMPEWVRKVFIDTIPNIMFFSTMKRPSRDKQEKRIFTEDIDISDISGKPGPPPMGFHSPLIKHPEVKSAIEGVKYIAETMKSDQESNNAAEEWKYVAMVMDHILLGVFMLVCLIGTLAVFAGRLIELHQQG
  
Component 2
Name:
Acetylcholine receptor subunit beta
Synonyms:
ACHB_MOUSE | Acetylcholine receptor protein beta chain | Acrb | Chrnb1
Type:
PROTEIN
Mol. Mass.:
56919.84
Organism:
Mus musculus
Description:
EBI_11803
Residue:
501
Sequence:
MALGALLLLLGVLGTPLAPGARGSEAEGQLIKKLFSNYDSSVRPAREVGDRVGVSIGLTLAQLISLNEKDEEMSTKVYLDLEWTDYRLSWDPAEHDGIDSLRITAESVWLPDVVLLNNNDGNFDVALDINVVVSFEGSVRWQPPGLYRSSCSIQVTYFPFDWQNCTMVFSSYSYDSSEVSLKTGLDPEGEERQEVYIHEGTFIENGQWEIIHKPSRLIQLPGDQRGGKEGHHEEVIFYLIIRRKPLFYLVNVIAPCILITLLAIFVFYLPPDAGEKMGLSIFALLTLTVFLLLLADKVPETSLAVPIIIKYLMFTMVLVTFSVILSVVVLNLHHRSPHTHQMPFWVRQIFIHKLPPYLGLKRPKPERDQLPEPHHSLSPRSGWGRGTDEYFIRKPPSDFLFPKLNRFQPESSAPDLRRFIDGPTRAVGLPQELREVISSISYMARQLQEQEDHDALKEDWQFVAMVVDRLFLWTFIVFTSVGTLVIFLDATYHLPPPEPFP
  
Component 3
Name:
Acetylcholine receptor subunit epsilon
Synonyms:
ACHE_MOUSE | Acre | Chrne
Type:
PROTEIN
Mol. Mass.:
54899.98
Organism:
Mus musculus
Description:
ChEMBL_108120
Residue:
493
Sequence:
MAGALLGALLLLTLFGRSQGKNEELSLYHHLFDNYDPECRPVRRPEDTVTITLKVTLTNLISLNEKEETLTTSVWIGIDWHDYRLNYSKDDFAGVGILRVPSEHVWLPEIVLENNIDGQFGVAYDSNVLVYEGGYVSWLPPAIYRSTCAVEVTYFPFDWQNCSLIFRSQTYNAEEVEFIFAVDDDGNTINKIDIDTAAFTENGEWAIDYCPGMIRRYEGGSTEGPGETDVIYTLIIRRKPLFYVINIIVPCVLISGLVLLAYFLPAQAGGQKCTVSINVLLAQTVFLFLIAQKIPETSLSVPLLGRYLIFVMVVATLIVMNCVIVLNVSLRTPTTHATSPRLRQILLELLPRLLGSSPPPEDPRTASPARRASSVGILLRAEELILKKPRSELVFEGQRHRHGTWTAALCQNLGAAAPEIRCCVDAVNFVAESTRDQEATGEELSDWVRMGKALDNVCFWAALVLFSVGSTLIFLGGYFNQVPDLPYPPCIQP
  
Component 4
Name:
Acetylcholine receptor subunit delta
Synonyms:
ACHD_MOUSE | Acetylcholine receptor protein delta chain | Acrd | Chrnd
Type:
PROTEIN
Mol. Mass.:
59138.17
Organism:
Mus musculus
Description:
EBI_100149
Residue:
520
Sequence:
MAGPVLTLGLLAALVVCALPGSWGLNEEQRLIQHLFNEKGYDKDLRPVARKEDKVDVALSLTLSNLISLKEVEETLTTNVWIDHAWVDSRLQWDANDFGNITVLRLPPDMVWLPEIVLENNNDGSFQISYACNVLVYDSGYVTWLPPAIFRSSCPISVTYFPFDWQNCSLKFSSLKYTAKEITLSLKQEEENNRSYPIEWIIIDPEGFTENGEWEIVHRAAKLNVDPSVPMDSTNHQDVTFYLIIRRKPLFYIINILVPCVLISFMINLVFYLPGDCGEKTSVAISVLLAQSVFLLLISKRLPATSMAIPLVGKFLLFGMVLVTMVVVICVIVLNIHFRTPSTHVLSEGVKKFFLETLPKLLHMSRPAEEDPGPRALIRRSSSLGYICKAEEYFSLKSRSDLMFEKQSERHGLARRLTTARRPPASSEQVQQELFNEMKPAVDGANFIVNHMRDQNSYNEEKDNWNQVARTVDRLCLFVVTPVMVVGTAWIFLQGVYNQPPLQPFPGDPFSYSEQDKRFI
  
Inhibitor
Name:
BDBM50445331
Synonyms:
CHEMBL3104245
Type:
Small organic molecule
Emp. Form.:
C58H92N18O18S5
Mol. Mass.:
1489.786
SMILES:
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](CO)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|
Structure:
Search PDB for entries with ligand similarity: