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Target
Neuronal acetylcholine receptor subunit alpha-7
Ligand
BDBM50513607
Substrate
n/a
Meas. Tech.
ChEMBL_1853690 (CHEMBL4354314)
Ki
340±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:
BDBM50513607
Synonyms:
CHEMBL4470650
Type:
Small organic molecule
Emp. Form.:
C21H23FN4OS
Mol. Mass.:
398.497
SMILES:
FCCOc1ccc(cc1)-c1ccc(s1)-c1cn(nn1)[C@H]1CN2CCC1CC2 |r,wU:20.22,(88.74,-1.85,;87.33,-1.23,;86.08,-2.14,;84.68,-1.51,;83.43,-2.42,;83.59,-3.95,;82.35,-4.86,;80.94,-4.22,;80.78,-2.7,;82.02,-1.8,;79.7,-5.13,;79.7,-6.66,;78.24,-7.14,;77.33,-5.9,;78.24,-4.66,;75.8,-5.9,;74.73,-7.08,;73.28,-6.43,;73.46,-4.85,;75.01,-4.53,;71.9,-7.23,;71.9,-8.81,;70.53,-9.6,;69.17,-8.81,;69.17,-7.23,;70.53,-6.42,;70.92,-7.79,;70.05,-8.26,)|
Structure:
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