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Target
Neuronal acetylcholine receptor; alpha9/alpha10
Ligand
BDBM50544003
Substrate
n/a
Meas. Tech.
ChEMBL_1991208 (CHEMBL4624943)
IC50
1.5±n/a nM
Citation
 Zheng, N; Christensen, SB; Blakely, A; Dowell, C; Purushottam, L; McIntosh, JM; Chou, DH Development of Conformationally Constrained ?-RgIA Analogues as Stable Peptide Antagonists of Human ?9?10 Nicotinic Acetylcholine Receptors. J Med Chem 63:8380-8387 (2020) [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:
BDBM50544003
Synonyms:
CHEMBL4647678
Type:
Small organic molecule
Emp. Form.:
C62H92IN19O21S4
Mol. Mass.:
1694.673
SMILES:
C[C@@H](O)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)CN)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1ccc(O)c(I)c1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Structure:
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