Reaction Details Report a problem with these data
Target
Neuronal acetylcholine receptor subunit alpha-7
Ligand
BDBM50356467
Substrate
n/a
Meas. Tech.
ChEMBL_775797 (CHEMBL1912300)
Ki
42±n/a nM
Citation
 Kombo, DC; Mazurov, A; Tallapragada, K; Hammond, PS; Chewning, J; Hauser, TA; Vasquez-Valdivieso, M; Yohannes, D; Talley, TT; Taylor, P; Caldwell, WS Docking studies of benzylidene anabaseine interactions witha7 nicotinic acetylcholine receptor (nAChR) and acetylcholine binding proteins (AChBPs): application to the design of relateda7 selective ligands. Eur J Med Chem 46:5625-35 (2011) [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:
BDBM50356467
Synonyms:
CHEMBL1911855
Type:
Small organic molecule
Emp. Form.:
C18H23N3O2
Mol. Mass.:
313.3941
SMILES:
COc1ccc(cc1)C1=NCC2(CN3CCC2CC3)NC(=O)C1 |t:9,(6.56,-10.44,;5.77,-11.76,;4.24,-11.74,;3.45,-13.07,;1.91,-13.04,;1.16,-11.69,;1.95,-10.38,;3.48,-10.39,;-.37,-11.67,;-1.06,-13.06,;-2.57,-13.38,;-3.77,-12.4,;-3.77,-13.94,;-5.1,-14.7,;-6.42,-13.94,;-6.42,-12.4,;-5.1,-11.62,;-4.34,-12.95,;-5.68,-13.71,;-3.74,-10.86,;-2.51,-9.91,;-2.84,-8.4,;-1.01,-10.27,)|
Structure:
Search PDB for entries with ligand similarity: