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Target
Neuronal acetylcholine receptor subunit alpha-7
Ligand
BDBM50485643
Substrate
n/a
Meas. Tech.
ChEMBL_850034 (CHEMBL2148894)
IC50
200±n/a nM
Citation
 Akdemir, A; Edink, E; Thompson, AJ; Lummis, SC; Kooistra, AJ; de Graaf, C; de Esch, IJ Identification of novel ?7 nicotinic receptor ligands by in silico screening against the crystal structure of a chimeric ?7 receptor ligand binding domain. Bioorg Med Chem 20:5992-6002 (2012) [PubMed]  Article 
Target
Name:
Neuronal acetylcholine receptor subunit alpha-7
Synonyms:
ACHA7_HUMAN | CHRNA7 | Cholinergic, Nicotinic Alpha7 | NACHRA7 | Neuronal acetylcholine receptor protein alpha-7 subunit | Neuronal acetylcholine receptor subunit alpha-7 (nAChR-alpha 7) | Nicotinic acetylcholine receptor alpha-7 (alpha7 nAChR)
Type:
n/a
Mol. Mass.:
56448.33
Organism:
Homo sapiens (Human)
Description:
CHRNA7 (NACHRA7)
Residue:
502
Sequence:
MRCSPGGVWLALAASLLHVSLQGEFQRKLYKELVKNYNPLERPVANDSQPLTVYFSLSLLQIMDVDEKNQVLTTNIWLQMSWTDHYLQWNVSEYPGVKTVRFPDGQIWKPDILLYNSADERFDATFHTNVLVNSSGHCQYLPPGIFKSSCYIDVRWFPFDVQHCKLKFGSWSYGGWSLDLQMQEADISGYIPNGEWDLVGIPGKRSERFYECCKEPYPDVTFTVTMRRRTLYYGLNLLIPCVLISALALLVFLLPADSGEKISLGITVLLSLTVFMLLVAEIMPATSDSVPLIAQYFASTMIIVGLSVVVTVIVLQYHHHDPDGGKMPKWTRVILLNWCAWFLRMKRPGEDKVRPACQHKQRRCSLASVEMSAVAPPPASNGNLLYIGFRGLDGVHCVPTPDSGVVCGRMACSPTHDEHLLHGGQPPEGDPDLAKILEEVRYIANRFRCQDESEAVCSEWKFAACVVDRLCLMAFSVFTIICTIGILMSAPNFVEAVSKDFA
  
Inhibitor
Name:
BDBM50485643
Synonyms:
3-Phenylquinuclidine | CHEMBL1890808
Type:
Small organic molecule
Emp. Form.:
C13H17N
Mol. Mass.:
187.2808
SMILES:
C1CN2CCC1C(C2)c1ccccc1 |THB:8:6:0.1:4.3,(-1.15,-3.06,;-.95,-4.47,;.61,-3.8,;.87,-1.86,;.42,-.73,;.35,-2.4,;1.72,-3.02,;2.01,-4.45,;2.93,-2.06,;2.7,-.54,;3.9,.42,;5.34,-.15,;5.57,-1.67,;4.36,-2.63,)|
Structure:
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