Target
Acetylcholine receptor subunit alpha/beta/delta/gamma
Ligand
BDBM50143282
Substrate
n/a
Meas. Tech.
ChEMBL_303631 (CHEMBL828841)
Ki
250±n/a nM
Citation
 Coe, JWBrooks, PRVetelino, MGWirtz, MCArnold, EPHuang, JSands, SBDavis, TILebel, LAFox, CBShrikhande, AHeym, JHSchaeffer, ERollema, HLu, YMansbach, RSChambers, LKRovetti, CCSchulz, DWTingley, FDO'Neill, BT Varenicline: an alpha4beta2 nicotinic receptor partial agonist for smoking cessation. J Med Chem 48:3474-7 (2005) [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:
BDBM50143282
Synonyms:
(-)-cytisine | (1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one | (1R,9R)-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one | (1R,9S)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one | (1R,9S)-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one | (1S,9R)-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one | 1,2,3,4,5,6-Hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one | 1,2,3,4,5,6-Hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one (cytisine) | CHEMBL497939 | Cytisine1,2,3,4,5,6-Hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one | cytisine
Type:
Small organic molecule
Emp. Form.:
C11H14N2O
Mol. Mass.:
190.2417
SMILES:
O=c1cccc2[C@H]3CNC[C@H](C3)Cn12
Structure:
Search PDB for entries with ligand similarity: