Reaction Details  Report a problem with these data
Target
Neuronal acetylcholine receptor subunit alpha-7
Ligand
BDBM50296716
Substrate
n/a
Meas. Tech.
ChEMBL_582484 (CHEMBL1058161)
Ki
215±n/a nM
Citation
 O'Donnell, CJ; Peng, L; O'Neill, BT; Arnold, EP; Mather, RJ; Sands, SB; Shrikhande, A; Lebel, LA; Spracklin, DK; Nedza, FM Synthesis and SAR studies of 1,4-diazabicyclo[3.2.2]nonane phenyl carbamates--subtype selective, high affinity alpha7 nicotinic acetylcholine receptor agonists. Bioorg Med Chem Lett 19:4747-51 (2009) [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:
BDBM50296716
Synonyms:
CHEMBL564816 | biphenyl-4-yl 1,4-diazabicyclo[3.2.2]nonane-4-carboxylate
Type:
Small organic molecule
Emp. Form.:
C20H22N2O2
Mol. Mass.:
322.4009
SMILES:
O=C(Oc1ccc(cc1)-c1ccccc1)N1CCN2CCC1CC2 |TLB:1:15:20.19:22.23,(-4.95,-14.53,;-4.67,-16.11,;-3.16,-16.65,;-1.94,-15.62,;-.43,-16.17,;.79,-15.14,;.51,-13.56,;-1,-13.01,;-2.22,-14.05,;1.68,-12.57,;3.13,-13.1,;4.3,-12.11,;4.03,-10.59,;2.58,-10.07,;1.41,-11.06,;-5.9,-17.14,;-5.52,-18.67,;-6.56,-17.92,;-8,-17.99,;-8.08,-16.22,;-7.43,-15.02,;-7.36,-16.5,;-8.71,-17.23,;-9.03,-18.73,)|
Structure:
Search PDB for entries with ligand similarity: