Reaction Details Report a problem with these data
Target
Neuronal acetylcholine receptor subunit alpha-7
Ligand
BDBM92878
Substrate
n/a
Meas. Tech.
ChEMBL_1928140 (CHEMBL4431212)
Ki
1.000000±n/a nM
Citation
 Sarasamkan, J; Scheunemann, M; Apaijai, N; Palee, S; Parichatikanond, W; Arunrungvichian, K; Fischer, S; Chattipakorn, S; Deuther-Conrad, W; Schüürmann, G; Brust, P; Vajragupta, O Varying Chirality Across Nicotinic Acetylcholine Receptor Subtypes: Selective Binding of Quinuclidine Triazole Compounds. ACS Med Chem Lett 7:890-895 (2016) [PubMed]  Article 
Target
Name:
Neuronal acetylcholine receptor subunit alpha-7
Synonyms:
Cholinergic, Nicotinic Alpha7 | Cholinergic, Nicotinic Alpha7/5-HT3 | Neuronal acetylcholine receptor subunit alpha-7 | Neuronal acetylcholine receptor subunit alpha-7 (nAChR alpha7) | Neuronal acetylcholine receptor subunit alpha 7 | Neuronal acetylcholine receptor (alpha7 nAChR) | Neuronal acetylcholine receptor subunit alpha-7 (nAChR) | Neuronal acetylcholine receptor | ACHA7_RAT | Chrna7 | Acra7
Type:
Enzyme
Mol. Mass.:
56502.44
Organism:
Rat
Description:
Q05941
Residue:
502
Sequence:
MCGGRGGIWLALAAALLHVSLQGEFQRRLYKELVKNYNPLERPVANDSQPLTVYFSLSLLQIMDVDEKNQVLTTNIWLQMSWTDHYLQWNMSEYPGVKNVRFPDGQIWKPDILLYNSADERFDATFHTNVLVNASGHCQYLPPGIFKSSCYIDVRWFPFDVQQCKLKFGSWSYGGWSLDLQMQEADISSYIPNGEWDLMGIPGKRNEKFYECCKEPYPDVTYTVTMRRRTLYYGLNLLIPCVLISALALLVFLLPADSGEKISLGITVLLSLTVFMLLVAEIMPATSDSVPLIAQYFASTMIIVGLSVVVTVIVLRYHHHDPDGGKMPKWTRIILLNWCAWFLRMKRPGEDKVRPACQHKPRRCSLASVELSAGAGPPTSNGNLLYIGFRGLEGMHCAPTPDSGVVCGRLACSPTHDEHLMHGAHPSDGDPDLAKILEEVRYIANRFRCQDESEVICSEWKFAACVVDRLCLMAFSVFTIICTIGILMSAPNFVEAVSKDFA
  
Inhibitor
Name:
BDBM92878
Synonyms:
Quinuclidine analogue, 5
Type:
Small molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
O=C(N[C@@H]1C2CCN(CC2)C1Cc1cccnc1)c1cc2ccccc2o1 |r,wU:3.2,(7.05,2.04,;7.05,3.58,;5.72,4.35,;4.39,3.58,;3.05,4.35,;1.72,3.58,;1.72,2.04,;3.05,1.27,;2.83,2.56,;3.77,3.23,;4.39,2.04,;5.72,1.27,;5.72,-.27,;4.39,-1.04,;4.39,-2.58,;5.72,-3.35,;7.05,-2.58,;7.05,-1.04,;8.39,4.35,;9.53,3.31,;10.87,4.08,;12.33,3.61,;13.47,4.64,;13.15,6.15,;11.69,6.62,;10.55,5.59,;9.01,5.75,)|
Structure:
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