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Target
Neuronal acetylcholine receptor; alpha9/alpha10
Ligand
BDBM50339938
Substrate
n/a
Meas. Tech.
ChEMBL_740890 (CHEMBL1763991)
IC50
5.4±n/a nM
Citation
 Zheng, G; Zhang, Z; Dowell, C; Wala, E; Dwoskin, LP; Holtman, JR; McIntosh, JM; Crooks, PA Discovery of non-peptide, small molecule antagonists ofa9a10 nicotinic acetylcholine receptors as novel analgesics for the treatment of neuropathic and tonic inflammatory pain. Bioorg Med Chem Lett 21:2476-9 (2011) [PubMed]  Article 
Target
Name:
Neuronal acetylcholine receptor; alpha9/alpha10
Synonyms:
Neuronal acetylcholine receptor protein alpha-10/alpha-9 subunit | Neuronal acetylcholine receptor subunit alpha-10/alpha-9
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 2150170
Components:
This complex has 2 components.
Component 1
Name:
Neuronal acetylcholine receptor subunit alpha-9
Synonyms:
ACHA9_HUMAN | CHRNA9 | NACHR alpha-9 | NACHRA9 | Neuronal acetylcholine receptor protein alpha-9 subunit | Neuronal acetylcholine receptor subunit alpha-9 | Nicotinic acetylcholine receptor subunit alpha-9
Type:
PROTEIN
Mol. Mass.:
54806.10
Organism:
Homo sapiens (Human)
Description:
ChEMBL_306102
Residue:
479
Sequence:
MNWSHSCISFCWIYFAASRLRAAETADGKYAQKLFNDLFEDYSNALRPVEDTDKVLNVTLQITLSQIKDMDERNQILTAYLWIRQIWHDAYLTWDRDQYDGLDSIRIPSDLVWRPDIVLYNKADDESSEPVNTNVVLRYDGLITWDAPAITKSSCVVDVTYFPFDNQQCNLTFGSWTYNGNQVDIFNALDSGDLSDFIEDVEWEVHGMPAVKNVISYGCCSEPYPDVTFTLLLKRRSSFYIVNLLIPCVLISFLAPLSFYLPAASGEKVSLGVTILLAMTVFQLMVAEIMPASENVPLIGKYYIATMALITASTALTIMVMNIHFCGAEARPVPHWARVVILKYMSRVLFVYDVGESCLSPHHSRERDHLTKVYSKLPESNLKAARNKDLSRKKDMNKRLKNDLGCQGKNPQEAESYCAQYKVLTRNIEYIAKCLKDHKATNSKGSEWKKVAKVIDRFFMWIFFIMVFVMTILIIARAD
  
Component 2
Name:
Neuronal acetylcholine receptor subunit alpha-10
Synonyms:
ACH10_HUMAN | CHRNA10 | NACHRA10 | Neuronal acetylcholine receptor protein alpha-10 subunit
Type:
PROTEIN
Mol. Mass.:
49714.45
Organism:
Homo sapiens (Human)
Description:
EBI_12740
Residue:
450
Sequence:
MGLRSHHLSLGLLLLFLLPAECLGAEGRLALKLFRDLFANYTSALRPVADTDQTLNVTLEVTLSQIIDMDERNQVLTLYLWIRQEWTDAYLRWDPNAYGGLDAIRIPSSLVWRPDIVLYNKADAQPPGSASTNVVLRHDGAVRWDAPAITRSSCRVDVAAFPFDAQHCGLTFGSWTHGGHQLDVRPRGAAASLADFVENVEWRVLGMPARRRVLTYGCCSEPYPDVTFTLLLRRRAAAYVCNLLLPCVLISLLAPLAFHLPADSGEKVSLGVTVLLALTVFQLLLAESMPPAESVPLIGKYYMATMTMVTFSTALTILIMNLHYCGPSVRPVPAWARALLLGHLARGLCVRERGEPCGQSRPPELSPSPQSPEGGAGPPAGPCHEPRCLCRQEALLHHVATIANTFRSHRAAQRCHEDWKRLARVMDRFFLAIFFSMALVMSLLVLVQAL
  
Inhibitor
Name:
BDBM50339938
Synonyms:
1,1',1'',1'''-(5,5',5'',5'''-(benzene-1,2,4,5-tetrayl)tetrakis(pentane-5,1-diyl))tetrakis(3-phenylpyridinium) bromide | 1,1',1'',1'''-(5,5',5'',5'''-(benzene-1,2,4,5-tetrayl)tetrakis(pentane-5,1-diyl))tetrakis(3-phenylpyridinium)bromide | CHEMBL454767
Type:
Small organic molecule
Emp. Form.:
C70H78N4
Mol. Mass.:
975.3929
SMILES:
C(CCc1cc(CCCCC[n+]2cccc(c2)-c2ccccc2)c(CCCCC[n+]2cccc(c2)-c2ccccc2)cc1CCCCC[n+]1cccc(c1)-c1ccccc1)CC[n+]1cccc(c1)-c1ccccc1
Structure:
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