Reaction Details Report a problem with these data
Target
Neuronal acetylcholine receptor subunit alpha-7
Ligand
BDBM50399820
Substrate
n/a
Meas. Tech.
ChEMBL_877370 (CHEMBL2182415)
Ki
29±n/a nM
Citation
 Mazurov, AA; Kombo, DC; Hauser, TA; Miao, L; Dull, G; Genus, JF; Fedorov, NB; Benson, L; Sidach, S; Xiao, Y; Hammond, PS; James, JW; Miller, CH; Yohannes, D Discovery of (2S,3R)-N-[2-(Pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]oct-3-yl]benzo[b]furan-2-carboxamide (TC-5619), a selectivea7 nicotinic acetylcholine receptor agonist, for the treatment of cognitive disorders. J Med Chem 55:9793-809 (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:
BDBM50399820
Synonyms:
CHEMBL2180263
Type:
Small organic molecule
Emp. Form.:
C27H26N4O2
Mol. Mass.:
438.5209
SMILES:
O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2cccc(-c3ccccn3)c2o1 |r,wU:3.2,wD:10.12,(6.12,-6.92,;6.12,-5.37,;4.79,-4.6,;3.45,-5.37,;2.12,-4.59,;.79,-5.37,;.79,-6.91,;2.12,-7.67,;1.33,-6.34,;2.71,-5.84,;3.45,-6.91,;4.78,-7.68,;4.78,-9.23,;3.45,-10,;3.44,-11.54,;4.77,-12.31,;6.12,-11.54,;6.11,-10,;7.28,-4.34,;7.29,-2.8,;8.75,-2.33,;9.38,-.95,;10.9,-.79,;11.8,-2.04,;11.17,-3.44,;11.88,-4.81,;13.42,-4.87,;14.13,-6.23,;13.31,-7.54,;11.76,-7.47,;11.05,-6.1,;9.64,-3.58,;8.74,-4.83,)|
Structure:
Search PDB for entries with ligand similarity: