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Target
Neuronal acetylcholine receptor subunit alpha-7
Ligand
BDBM50513580
Substrate
n/a
Meas. Tech.
ChEMBL_1853690 (CHEMBL4354314)
Ki
120±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:
BDBM50513580
Synonyms:
CHEMBL4464805
Type:
Small organic molecule
Emp. Form.:
C20H22N4OS
Mol. Mass.:
366.48
SMILES:
OCc1ccc(s1)-c1ccc(cc1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:18.20,(44.61,-20.52,;43.2,-19.9,;41.96,-20.81,;41.96,-22.35,;40.5,-22.82,;39.59,-21.58,;40.49,-20.33,;38.05,-21.58,;37.28,-22.92,;35.74,-22.92,;34.97,-21.58,;35.73,-20.25,;37.27,-20.24,;33.43,-21.58,;32.37,-22.77,;30.91,-22.12,;31.08,-20.53,;32.64,-20.21,;29.52,-22.91,;29.52,-24.5,;28.14,-25.3,;26.77,-24.5,;26.77,-22.91,;28.14,-22.11,;28.53,-23.49,;27.66,-23.95,)|
Structure:
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