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Target
Neuronal acetylcholine receptor subunit alpha-7
Ligand
BDBM50513613
Substrate
n/a
Meas. Tech.
ChEMBL_1853690 (CHEMBL4354314)
Ki
0.600000±n/a nM
Citation
 Ouach, A; Vercouillie, J; Bertrand, E; Rodrigues, N; Pin, F; Serriere, S; Boiaryna, L; Chartier, A; Percina, N; Tangpong, P; Gulhan, Z; Mothes, C; Deloye, JB; Guilloteau, D; Page, G; Suzenet, F; Buron, F; Chalon, S; Routier, S Bis(het)aryl-1,2,3-triazole quinuclidines as ?7 nicotinic acetylcholine receptor ligands: Synthesis, structure affinity relationships, agonism activity, [ Eur J Med Chem 179:449-469 (2019) [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:
BDBM50513613
Synonyms:
CHEMBL4567300
Type:
Small organic molecule
Emp. Form.:
C20H22N4OS
Mol. Mass.:
366.48
SMILES:
OCc1ccc(cc1)-c1ccc(s1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:18.20,(44.07,-47.71,;42.67,-47.09,;41.43,-48,;41.59,-49.53,;40.35,-50.44,;38.94,-49.8,;38.78,-48.28,;40.01,-47.37,;37.7,-50.71,;37.7,-52.24,;36.24,-52.72,;35.32,-51.48,;36.24,-50.24,;33.79,-51.48,;32.73,-52.66,;31.27,-52.01,;31.45,-50.43,;33,-50.11,;29.89,-52.8,;29.89,-54.39,;28.52,-55.18,;27.15,-54.39,;27.15,-52.8,;28.52,-52.01,;28.91,-53.38,;28.04,-53.84,)|
Structure:
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