Reaction Details Report a problem with these data
Target
Neuronal acetylcholine receptor subunit alpha-7
Ligand
BDBM50356466
Substrate
n/a
Meas. Tech.
ChEMBL_775797 (CHEMBL1912300)
Ki
87±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:
BDBM50356466
Synonyms:
CHEMBL1911854
Type:
Small organic molecule
Emp. Form.:
C18H23N3O2
Mol. Mass.:
313.3941
SMILES:
COc1cccc(c1)C1=NCC2(CN3CCC2CC3)NC(=O)C1 |t:9,(38.71,-2.13,;37.17,-2.11,;36.43,-.76,;37.22,.56,;36.46,1.91,;34.92,1.93,;34.14,.61,;34.89,-.74,;32.61,.63,;31.92,-.75,;30.41,-1.08,;29.21,-.09,;29.21,-1.63,;27.88,-2.4,;26.55,-1.63,;26.55,-.09,;27.88,.68,;28.64,-.65,;27.3,-1.41,;29.24,1.45,;30.47,2.39,;30.14,3.9,;31.97,2.03,)|
Structure:
Search PDB for entries with ligand similarity: