Reaction Details Report a problem with these data
Target
Neuronal acetylcholine receptor subunit alpha-7
Ligand
BDBM50451606
Substrate
n/a
Meas. Tech.
ChEMBL_1745955 (CHEMBL4180465)
EC50
13±n/a nM
Citation
 Cook, J; Zusi, FC; Hill, MD; Fang, H; Pearce, B; Park, H; Gallagher, L; McDonald, IM; Bristow, L; Macor, JE; Olson, RE Design and synthesis of a novel series of (1'S,2R,4'S)-3H-4'-azaspiro[benzo[4,5]imidazo[2,1-b]oxazole-2,2'-bicyclo[2.2.2]octanes] with high affinity for the ?7 neuronal nicotinic receptor. Bioorg Med Chem Lett 27:5002-5005 (2017) [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:
BDBM50451606
Synonyms:
CHEMBL4214778
Type:
Small organic molecule
Emp. Form.:
C16H16F3N3O
Mol. Mass.:
323.3129
SMILES:
FC(F)(F)c1ccc2n3C[C@@]4(CN5CCC4CC5)Oc3nc2c1 |r,wU:10.19,THB:18:10:13.14:17.16,(24.67,-19.03,;25.09,-20.6,;26.24,-19.45,;26.25,-21.75,;23.54,-21.04,;23.14,-22.53,;21.66,-22.93,;20.57,-21.85,;19.03,-21.94,;17.84,-22.9,;16.55,-22.07,;16.85,-23.54,;15.41,-22.87,;13.8,-23.57,;13.59,-22.11,;15.14,-21.44,;15.2,-19.72,;15.68,-20.88,;16.94,-20.59,;18.47,-20.5,;19.67,-19.53,;20.95,-20.36,;22.44,-19.95,)|
Structure:
Search PDB for entries with ligand similarity: