Reaction Details Report a problem with these data
Target
Neuronal acetylcholine receptor subunit alpha-7
Ligand
BDBM165923
Substrate
n/a
Meas. Tech.
Binding Assay
pH
7.4±n/a
Temperature
277.15±n/a K
Ki
17±n/a nM
Comments
extracted
Citation
 Luithle, J; Boess, F; Erb, C; Hafner, F; Schnizler, K; Flessner, T; Van Kampen, M; Van Der Staay, F 2-heteroaryl carboxamides US Patent  US9067931 Publication Date 6/30/2015 
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:
BDBM165923
Synonyms:
US10214524, Example 17 | US9067931, 17
Type:
Small organic molecule
Emp. Form.:
C23H24N2O2S
Mol. Mass.:
392.514
SMILES:
COc1cccc(c1)-c1cccc2cc(sc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:20.22,(8.07,-.67,;7.3,-2,;5.76,-2,;4.94,-3.33,;3.4,-3.33,;2.63,-2,;3.4,-.67,;4.94,-.67,;2.63,.67,;3.4,2,;2.63,3.33,;1.09,3.33,;.32,2,;-1.19,1.68,;-1.35,.15,;.06,-.48,;1.09,.67,;-2.68,-.62,;-2.68,-2.16,;-4.02,.15,;-5.35,-.62,;-5.35,-2.16,;-6.68,-2.93,;-8.02,-2.16,;-8.02,-.62,;-6.68,.15,;-5.91,-1.18,;-7.45,-1.6,)|
Structure:
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