Reaction Details Report a problem with these data
Target
Neuronal acetylcholine receptor subunit alpha-7
Ligand
BDBM50198441
Substrate
n/a
Meas. Tech.
ChEMBL_432664 (CHEMBL919235)
Ki
26.8±n/a nM
Citation
 Ivy Carroll, F; Ma, W; Navarro, HA; Abraham, P; Wolckenhauer, SA; Damaj, MI; Martin, BR Synthesis, nicotinic acetylcholine receptor binding, antinociceptive and seizure properties of methyllycaconitine analogs. Bioorg Med Chem 15:678-85 (2006) [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:
BDBM50198441
Synonyms:
CHEMBL267682 | cyclohexyllycaconitine
Type:
Small organic molecule
Emp. Form.:
C43H60N2O10
Mol. Mass.:
764.9439
SMILES:
CCN1C[C@]2(COC(=O)c3ccccc3-n3c(O)c(C)c(C4CCCCC4)c3O)CC[C@H](OC)C34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)C23)C14 |wU:4.4,50.55,48.53,42.46,45.50,wD:41.44,37.39,35.38,38.41,31.34,TLB:51:50:34:4.3.2,51:50:42.35.41:54,32:31:53:54.3.2,43:42:50.53:54,44:42:50.53:54,5:4:50.48:34,34:35:38:42.45.44,THB:1:2:50.48:34,1:2:30.29.31:53,2:54:50.53:42.35.41,4:53:42.35.41:54,29:4:50.48:34,31:34:50.48:4.3.2,42:48:34:4.3.2,48:54:30.29.31:53,35:34:50.48:4.3.2,36:35:50.53:54,(32.63,-18.97,;33.4,-20.3,;34.94,-20.3,;33.72,-22.26,;35.22,-21.86,;35.22,-23.4,;33.89,-24.17,;32.74,-25.2,;31.31,-24.68,;33.06,-26.7,;34.52,-27.17,;34.84,-28.69,;33.69,-29.71,;32.23,-29.24,;31.93,-27.72,;30.47,-27.24,;29.22,-28.14,;29.22,-29.68,;27.98,-27.24,;26.52,-27.71,;28.46,-25.78,;28.16,-24.27,;29.33,-23.25,;29.03,-21.74,;27.57,-21.24,;26.41,-22.26,;26.71,-23.77,;29.99,-25.77,;30.26,-24.34,;33.9,-21.1,;33.9,-19.56,;35.22,-18.78,;34.77,-17.05,;32.79,-16.93,;36.55,-19.56,;37.81,-18.57,;37.69,-17.1,;39.04,-16.53,;40.01,-17.64,;41.54,-17.51,;42.42,-18.77,;39.25,-18.91,;39.91,-20.27,;41.23,-21.04,;43.68,-20.18,;43.68,-16.46,;44.75,-15.37,;46.24,-15.76,;39.31,-21.66,;40.31,-22.82,;37.77,-22.06,;37.46,-23.57,;38.6,-24.59,;36.55,-21.1,;35.96,-17.97,)|
Structure:
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