Reaction Details  Report a problem with these data
Target
Neuronal acetylcholine receptor subunit alpha-7
Ligand
BDBM50296718
Substrate
n/a
Meas. Tech.
ChEMBL_582484 (CHEMBL1058161)
Ki
95±n/a nM
Citation
 O'Donnell, CJ; Peng, L; O'Neill, BT; Arnold, EP; Mather, RJ; Sands, SB; Shrikhande, A; Lebel, LA; Spracklin, DK; Nedza, FM Synthesis and SAR studies of 1,4-diazabicyclo[3.2.2]nonane phenyl carbamates--subtype selective, high affinity alpha7 nicotinic acetylcholine receptor agonists. Bioorg Med Chem Lett 19:4747-51 (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:
BDBM50296718
Synonyms:
4-benzoylphenyl 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate | CHEMBL550520
Type:
Small organic molecule
Emp. Form.:
C21H22N2O3
Mol. Mass.:
350.411
SMILES:
O=C(Oc1ccc(cc1)C(=O)c1ccccc1)N1CCN2CCC1CC2 |TLB:1:17:22.21:24.25,(9.05,-5.68,;9.33,-7.19,;10.77,-7.72,;11.96,-6.73,;13.4,-7.26,;14.58,-6.26,;14.31,-4.75,;12.85,-4.22,;11.67,-5.22,;15.49,-3.75,;15.21,-2.23,;16.94,-4.27,;17.21,-5.79,;18.66,-6.32,;19.84,-5.32,;19.56,-3.8,;18.11,-3.27,;8.14,-8.19,;8.51,-9.66,;7.51,-8.94,;6.13,-9.01,;6.04,-7.3,;6.67,-6.15,;6.74,-7.56,;5.44,-8.27,;5.13,-9.72,)|
Structure:
Search PDB for entries with ligand similarity: