Reaction Details Report a problem with these data
Target
Neuronal acetylcholine receptor subunit alpha-7
Ligand
BDBM50198446
Substrate
n/a
Meas. Tech.
ChEMBL_432664 (CHEMBL919235)
Ki
1.67±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:
BDBM50198446
Synonyms:
CHEMBL413306 | phenyllycaconitine
Type:
Small organic molecule
Emp. Form.:
C43H54N2O10
Mol. Mass.:
758.8963
SMILES:
CCN1C[C@]2(COC(=O)c3ccccc3-n3c(O)c(C)c(c3O)-c3ccccc3)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,(12.79,-18.76,;13.55,-20.1,;15.09,-20.1,;13.87,-22.05,;15.37,-21.66,;15.38,-23.2,;14.04,-23.96,;12.89,-24.99,;11.47,-24.48,;13.22,-26.5,;14.67,-26.97,;15,-28.48,;13.84,-29.5,;12.39,-29.03,;12.08,-27.52,;10.62,-27.04,;9.37,-27.94,;9.37,-29.48,;8.13,-27.03,;6.67,-27.5,;8.61,-25.58,;10.14,-25.57,;10.41,-24.13,;8.17,-24.1,;9.24,-22.98,;8.8,-21.5,;7.3,-21.14,;6.24,-22.27,;6.68,-23.74,;14.05,-20.9,;14.05,-19.36,;15.37,-18.58,;14.92,-16.85,;12.94,-16.72,;16.7,-19.36,;17.96,-18.37,;17.84,-16.9,;19.19,-16.33,;20.16,-17.44,;21.69,-17.3,;22.57,-18.57,;19.4,-18.7,;20.06,-20.07,;21.38,-20.84,;23.83,-19.98,;23.83,-16.26,;24.91,-15.16,;26.39,-15.55,;19.46,-21.45,;20.46,-22.62,;17.93,-21.85,;17.61,-23.36,;18.76,-24.38,;16.7,-20.9,;16.11,-17.77,)|
Structure:
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