Target
Neuronal acetylcholine receptor subunit alpha-7
Ligand
BDBM50399766
Substrate
n/a
Meas. Tech.
ChEMBL_877370 (CHEMBL2182415)
Ki
4.7±n/a nM
Citation
 Mazurov, AAKombo, DCHauser, TAMiao, LDull, GGenus, JFFedorov, NBBenson, LSidach, SXiao, YHammond, PSJames, JWMiller, CHYohannes, 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:
BDBM50399766
Synonyms:
CHEMBL2180254
Type:
Small organic molecule
Emp. Form.:
C22H22FN3O2
Mol. Mass.:
379.4274
SMILES:
Fc1ccc2oc(cc2c1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:13.14,wD:20.24,(11.82,-24.93,;11.19,-26.33,;12.09,-27.58,;11.45,-28.98,;9.93,-29.13,;9.02,-30.37,;7.56,-29.88,;7.57,-28.35,;9.04,-27.88,;9.67,-26.49,;6.41,-30.92,;6.41,-32.46,;5.08,-30.14,;3.74,-30.91,;2.41,-30.13,;1.08,-30.91,;1.08,-32.45,;2.41,-33.21,;1.62,-31.88,;3,-31.38,;3.74,-32.45,;5.07,-33.22,;5.07,-34.77,;3.73,-35.53,;3.73,-37.07,;5.07,-37.85,;6.41,-37.07,;6.4,-35.53,)|
Structure:
Search PDB for entries with ligand similarity: