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Target
Neuronal acetylcholine receptor subunit alpha-7
Ligand
BDBM50302793
Substrate
n/a
Meas. Tech.
ChEMBL_595288 (CHEMBL1047082)
Ki
6100±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:
BDBM50302793
Synonyms:
1-methyl-3-(6-morpholinopyridin-3-yl)-1-azoniabicyclo[2.2.2]octane | CHEMBL577968
Type:
Small organic molecule
Emp. Form.:
C17H26N3O
Mol. Mass.:
288.4073
SMILES:
C[N+]12CCC(CC1)C(C2)c1ccc(nc1)N1CCOCC1 |THB:9:7:2.3:6.5,(7.34,-23.87,;7.59,-22.23,;5.92,-22.94,;5.71,-21.44,;7.3,-20.74,;7.38,-18.97,;7.86,-20.17,;8.77,-21.4,;9.06,-22.91,;9.97,-20.44,;9.92,-18.91,;11.23,-18.11,;12.59,-18.84,;12.63,-20.38,;11.32,-21.18,;13.9,-18.03,;15.25,-18.76,;16.56,-17.96,;16.52,-16.42,;15.17,-15.68,;13.85,-16.49,)|
Structure:
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