Reaction Details Report a problem with these data
Target
Neuronal acetylcholine receptor subunit alpha-7
Ligand
BDBM50302795
Substrate
n/a
Meas. Tech.
ChEMBL_595288 (CHEMBL1047082)
Ki
5600±n/a nM
Citation
 Grazioso, G; Pomè, DY; Matera, C; Frigerio, F; Pucci, L; Gotti, C; Dallanoce, C; De Amici, M Design of novel alpha7-subtype-preferring nicotinic acetylcholine receptor agonists: application of docking and MM-PBSA computational approaches, synthetic and pharmacological studies. Bioorg Med Chem Lett 19:6353-7 (2009) [PubMed]  Article 
Target
Name:
Neuronal acetylcholine receptor subunit alpha-7
Synonyms:
ACHA7_RAT | Acra7 | Cholinergic, Nicotinic Alpha7 | Cholinergic, Nicotinic Alpha7/5-HT3 | Chrna7 | Neuronal acetylcholine receptor | Neuronal acetylcholine receptor (alpha7 nAChR) | Neuronal acetylcholine receptor subunit alpha 7 | Neuronal acetylcholine receptor subunit alpha-7 | Neuronal acetylcholine receptor subunit alpha-7 (nAChR alpha7) | Neuronal acetylcholine receptor subunit alpha-7 (nAChR)
Type:
Enzyme
Mol. Mass.:
56502.44
Organism:
Rattus norvegicus (Rat)
Description:
Q05941
Residue:
502
Sequence:
MCGGRGGIWLALAAALLHVSLQGEFQRRLYKELVKNYNPLERPVANDSQPLTVYFSLSLLQIMDVDEKNQVLTTNIWLQMSWTDHYLQWNMSEYPGVKNVRFPDGQIWKPDILLYNSADERFDATFHTNVLVNASGHCQYLPPGIFKSSCYIDVRWFPFDVQQCKLKFGSWSYGGWSLDLQMQEADISSYIPNGEWDLMGIPGKRNEKFYECCKEPYPDVTYTVTMRRRTLYYGLNLLIPCVLISALALLVFLLPADSGEKISLGITVLLSLTVFMLLVAEIMPATSDSVPLIAQYFASTMIIVGLSVVVTVIVLRYHHHDPDGGKMPKWTRIILLNWCAWFLRMKRPGEDKVRPACQHKPRRCSLASVELSAGAGPPTSNGNLLYIGFRGLEGMHCAPTPDSGVVCGRLACSPTHDEHLMHGAHPSDGDPDLAKILEEVRYIANRFRCQDESEVICSEWKFAACVVDRLCLMAFSVFTIICTIGILMSAPNFVEAVSKDFA
  
Inhibitor
Name:
BDBM50302795
Synonyms:
1-methyl-3-(6-morpholinopyridin-3-yl)-1-azoniabicyclo[2.2.2]oct-2-ene | CHEMBL579276
Type:
Small organic molecule
Emp. Form.:
C17H24N3O
Mol. Mass.:
286.3914
SMILES:
C[N+]12CCC(CC1)C(=C2)c1ccc(nc1)N1CCOCC1 |c:8,THB:9:7:2.3:6.5,(7.34,-23.86,;7.58,-22.21,;5.92,-22.92,;5.71,-21.43,;7.3,-20.73,;7.37,-18.95,;7.86,-20.15,;8.76,-21.39,;9.07,-22.89,;9.97,-20.42,;9.92,-18.9,;11.22,-18.09,;12.58,-18.82,;12.62,-20.36,;11.32,-21.16,;13.89,-18.01,;15.24,-18.75,;16.55,-17.94,;16.51,-16.4,;15.16,-15.67,;13.84,-16.48,)|
Structure:
Search PDB for entries with ligand similarity: