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Target
Neuronal acetylcholine receptor; alpha9/alpha10
Ligand
BDBM50581249
Substrate
n/a
Meas. Tech.
ChEMBL_2150170 (CHEMBL5034632)
IC50
2.9±n/a nM
Citation
 Zheng, N; Christensen, SB; Dowell, C; Purushottam, L; Skalicky, JJ; McIntosh, JM; Chou, DH Discovery of Methylene Thioacetal-Incorporated ?-RgIA Analogues as Potent and Stable Antagonists of the Human ?9?10 Nicotinic Acetylcholine Receptor for the Treatment of Neuropathic Pain. J Med Chem 64:9513-9524 (2021) [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:
BDBM50581249
Synonyms:
CHEMBL5073182
Type:
Small organic molecule
Emp. Form.:
C62H99IN24O20S4
Mol. Mass.:
1755.763
SMILES:
C[C@H](O)[C@H]1NC(=O)[C@@H]2NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(O)O)NC1=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CSCS2)C(=O)NCCC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)NC(=O)CN |r|
Structure:
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