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Target
Neuronal acetylcholine receptor subunit alpha-7
Ligand
BDBM50513622
Substrate
n/a
Meas. Tech.
ChEMBL_1853690 (CHEMBL4354314)
Ki
17±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:
BDBM50513622
Synonyms:
CHEMBL4455712
Type:
Small organic molecule
Emp. Form.:
C25H31N5S
Mol. Mass.:
433.612
SMILES:
C(N1CCCCC1)c1cccc(c1)-c1ccc(s1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:23.26,(64.17,-37.09,;65.42,-36.19,;66.82,-36.81,;68.06,-35.92,;67.91,-34.38,;66.5,-33.75,;65.25,-34.66,;62.76,-36.46,;62.6,-34.93,;61.19,-34.31,;59.95,-35.21,;60.11,-36.73,;61.52,-37.37,;58.87,-37.64,;58.87,-39.17,;57.41,-39.65,;56.5,-38.41,;57.41,-37.17,;54.97,-38.41,;53.9,-39.59,;52.45,-38.94,;52.63,-37.36,;54.18,-37.04,;51.07,-39.73,;51.07,-41.32,;49.7,-42.11,;48.34,-41.32,;48.34,-39.73,;49.7,-38.93,;50.09,-40.3,;49.22,-40.77,)|
Structure:
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