Reaction Details Report a problem with these data
Target
Acetylcholine receptor subunit alpha/beta/delta/gamma
Ligand
BDBM50220045
Substrate
n/a
Meas. Tech.
ChEMBL_340034 (CHEMBL861245)
Ki
550±n/a nM
Citation
 Zlotos, DP; Tränkle, C; Abdelrahman, A; Gündisch, D; Radacki, K; Braunschweig, H; Mohr, K 6H,13H-Pyrazino[1,2-a;4,5-a']diindole analogs: probing the pharmacophore for allosteric ligands of muscarinic M2 receptors. Bioorg Med Chem Lett 16:1481-5 (2006) [PubMed]  Article 
Target
Name:
Acetylcholine receptor subunit alpha/beta/delta/gamma
Synonyms:
Acetylcholine receptor | Acetylcholine receptor protein alpha/beta/delta/gamma chain
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of EBI is 143080
Components:
This complex has 4 components.
Component 1
Name:
Acetylcholine receptor subunit beta
Synonyms:
ACHB_TETCF | Acetylcholine receptor | CHRNB1
Type:
PROTEIN
Mol. Mass.:
56146.98
Organism:
Torpedo californica
Description:
EBI_19626
Residue:
493
Sequence:
MENVRRMALGLVVMMALALSGVGASVMEDTLLSVLFETYNPKVRPAQTVGDKVTVRVGLTLTNLLILNEKIEEMTTNVFLNLAWTDYRLQWDPAAYEGIKDLRIPSSDVWQPDIVLMNNNDGSFEITLHVNVLVQHTGAVSWQPSAIYRSSCTIKVMYFPFDWQNCTMVFKSYTYDTSEVTLQHALDAKGEREVKEIVINKDAFTENGQWSIEHKPSRKNWRSDDPSYEDVTFYLIIQRKPLFYIVYTIIPCILISILAILVFYLPPDAGEKMSLSISALLAVTVFLLLLADKVPETSLSVPIIIRYLMFIMILVAFSVILSVVVLNLHHRSPNTHTMPNWIRQIFIETLPPFLWIQRPVTTPSPDSKPTIISRANDEYFIRKPAGDFVCPVDNARVAVQPERLFSEMKWHLNGLTQPVTLPQDLKEAVEAIKYIAEQLESASEFDDLKKDWQYVAMVADRLFLYVFFVICSIGTFSIFLDASHNVPPDNPFA
  
Component 2
Name:
Acetylcholine receptor subunit gamma
Synonyms:
ACHG_TETCF | Acetylcholine receptor | CHRNG
Type:
PROTEIN
Mol. Mass.:
58151.68
Organism:
Torpedo californica
Description:
EBI_19662
Residue:
506
Sequence:
MVLTLLLIICLALEVRSENEEGRLIEKLLGDYDKRIIPAKTLDHIIDVTLKLTLTNLISLNEKEEALTTNVWIEIQWNDYRLSWNTSEYEGIDLVRIPSELLWLPDVVLENNVDGQFEVAYYANVLVYNDGSMYWLPPAIYRSTCPIAVTYFPFDWQNCSLVFRSQTYNAHEVNLQLSAEEGEAVEWIHIDPEDFTENGEWTIRHRPAKKNYNWQLTKDDTDFQEIIFFLIIQRKPLFYIINIIAPCVLISSLVVLVYFLPAQAGGQKCTLSISVLLAQTIFLFLIAQKVPETSLNVPLIGKYLIFVMFVSMLIVMNCVIVLNVSLRTPNTHSLSEKIKHLFLGFLPKYLGMQLEPSEETPEKPQPRRRSSFGIMIKAEEYILKKPRSELMFEEQKDRHGLKRVNKMTSDIDIGTTVDLYKDLANFAPEIKSCVEACNFIAKSTKEQNDSGSENENWVLIGKVIDKACFWIALLLFSIGTLAIFLTGHFNQVPEFPFPGDPRKYVP
  
Component 3
Name:
Acetylcholine receptor subunit alpha
Synonyms:
ACHA_TETCF | Acetylcholine receptor | Acetylcholine receptor protein alpha chain | CHRNA1
Type:
PROTEIN
Mol. Mass.:
52735.09
Organism:
Torpedo californica
Description:
ChEMBL_216981
Residue:
461
Sequence:
MILCSYWHVGLVLLLFSCCGLVLGSEHETRLVANLLENYNKVIRPVEHHTHFVDITVGLQLIQLISVDEVNQIVETNVRLRQQWIDVRLRWNPADYGGIKKIRLPSDDVWLPDLVLYNNADGDFAIVHMTKLLLDYTGKIMWTPPAIFKSYCEIIVTHFPFDQQNCTMKLGIWTYDGTKVSISPESDRPDLSTFMESGEWVMKDYRGWKHWVYYTCCPDTPYLDITYHFIMQRIPLYFVVNVIIPCLLFSFLTGLVFYLPTDSGEKMTLSISVLLSLTVFLLVIVELIPSTSSAVPLIGKYMLFTMIFVISSIIITVVVINTHHRSPSTHTMPQWVRKIFIDTIPNVMFFSTMKRASKEKQENKIFADDIDISDISGKQVTGEVIFQTPLIKNPDVKSAIEGVKYIAEHMKSDEESSNAAEEWKYVAMVIDHILLCVFMLICIIGTVSVFAGRLIELSQEG
  
Component 4
Name:
Acetylcholine receptor subunit delta
Synonyms:
ACHD_TETCF | Acetylcholine receptor | Acetylcholine receptor protein delta chain | chrnd
Type:
PROTEIN
Mol. Mass.:
59885.01
Organism:
Torpedo californica
Description:
ChEMBL_142744
Residue:
522
Sequence:
MGNIHFVYLLISCLYYSGCSGVNEEERLINDLLIVNKYNKHVRPVKHNNEVVNIALSLTLSNLISLKETDETLTSNVWMDHAWYDHRLTWNASEYSDISILRLPPELVWIPDIVLQNNNDGQYHVAYFCNVLVRPNGYVTWLPPAIFRSSCPINVLYFPFDWQNCSLKFTALNYDANEITMDLMTDTIDGKDYPIEWIIIDPEAFTENGEWEIIHKPAKKNIYPDKFPNGTNYQDVTFYLIIRRKPLFYVINFITPCVLISFLASLAFYLPAESGEKMSTAISVLLAQAVFLLLTSQRLPETALAVPLIGKYLMFIMSLVTGVIVNCGIVLNFHFRTPSTHVLSTRVKQIFLEKLPRILHMSRADESEQPDWQNDLKLRRSSSVGYISKAQEYFNIKSRSELMFEKQSERHGLVPRVTPRIGFGNNNENIAASDQLHDEIKSGIDSTNYIVKQIKEKNAYDEEVGNWNLVGQTIDRLSMFIITPVMVLGTIFIFVMGNFNHPPAKPFEGDPFDYSSDHPRCA
  
Inhibitor
Name:
BDBM50220045
Synonyms:
CHEMBL206666 | [(20-{[dimethyl(prop-2-en-1-yl)azaniumyl]methyl}-3,13-diazapentacyclo[11.7.0.0^{3,11}.0^{4,9}.0^{14,19}]icosa-1(20),4,6,8,10,14(19),15,17-octaen-10-yl)methyl]dimethylprop-2-en-1-ylazanium dibromide
Type:
Small organic molecule
Emp. Form.:
C30H38N4
Mol. Mass.:
454.6484
SMILES:
C[N+](C)(CC=C)Cc1c2Cn3c(Cn2c2ccccc12)c(C[N+](C)(C)CC=C)c1ccccc31
Structure:
Search PDB for entries with ligand similarity: