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Target
Neuronal acetylcholine receptor subunit alpha-7
Ligand
BDBM125052
Substrate
n/a
Meas. Tech.
Alpha 7 UAChR Inhibition Assay
pH
7.4±n/a
Ki
15.0±n/a nM
Comments
extracted
Citation
 Fleβner, T; Böβ, F; Erb, C; Hafner, F; Schnizler, K; Lang, D; Luithle, J; Van Kampen, M; Van Der Staay, F Azabicyclic carbamates and their use as alpha-7 nicotinic acetylcholine receptor agonists US Patent  US9714242 Publication Date 7/25/2017 
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:
BDBM125052
Synonyms:
US8772511, 21 | US9714242, 21
Type:
Small organic molecule
Emp. Form.:
C23H24N4O2S
Mol. Mass.:
420.527
SMILES:
O=C(Nc1ccccc1)Nc1cccc2cc(sc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:22.24,(4.55,.67,;3.78,-.67,;4.55,-2,;6.09,-2,;6.86,-.67,;8.4,-.67,;9.17,-2,;8.4,-3.33,;6.86,-3.33,;2.24,-.67,;1.47,.67,;2.24,2,;1.47,3.33,;-.07,3.33,;-.84,2,;-2.34,1.68,;-2.5,.15,;-1.1,-.48,;-.07,.67,;-3.84,-.62,;-3.84,-2.16,;-5.17,.15,;-6.51,-.62,;-6.51,-2.16,;-7.84,-2.93,;-9.17,-2.16,;-9.17,-.62,;-7.84,.15,;-7.12,-1.2,;-8.61,-1.6,)|
Structure:
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