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Target
Nicotinic acetylcholine receptor alpha9/alpha10
Ligand
BDBM50445326
Substrate
n/a
Meas. Tech.
ChEMBL_1858087 (CHEMBL4358816)
IC50
6.9±n/a nM
Citation
 Liang, J; Tae, HS; Xu, X; Jiang, T; Adams, DJ; Yu, R Dimerization of ?-Conotoxins as a Strategy to Enhance the Inhibition of the Human ?7 and ?9?10 Nicotinic Acetylcholine Receptors. J Med Chem 63:2974-2985 (2020) [PubMed]  Article 
Target
Name:
Nicotinic acetylcholine receptor alpha9/alpha10
Synonyms:
Neuronal acetylcholine receptor subunit alpha-10/alpha-9
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 2193071
Components:
This complex has 2 components.
Component 1
Name:
Neuronal acetylcholine receptor subunit alpha-9
Synonyms:
ACHA9_RAT | Acra9 | Cholinergic, Nicotinic Muscle | Chrna9 | NACHR alpha 9 | Neuronal acetylcholine receptor subunit alpha-9 | Nicotinic acetylcholine receptor subunit alpha 9
Type:
Enzyme Catalytic Domain
Mol. Mass.:
54522.69
Organism:
RAT
Description:
Cholinergic, Nicotinic Muscle 0 RAT::P43144
Residue:
479
Sequence:
MNRPHSCLSFCWMYFAASGIRAVETANGKYAQKLFSDLFEDYSSALRPVEDTDAVLNVTLQVTLSQIKDMDERNQILTAYLWIRQTWHDAYLTWDRDQYDRLDSIRIPSDLVWRPDIVLYNKADDESSEPVNTNVVLRYDGLITWDSPAITKSSCVVDVTYFPFDSQQCNLTFGSWTYNGNQVDIFNALDSGDLSDFIEDVEWEVHGMPAVKNVISYGCCSEPYPDVTFTLLLKRRSSFYIVNLLIPCVLISFLAPLSFYLPAASGEKVSLGVTILLAMTVFQLMVAEIMPASENVPLIGKYYIATMALITASTALTIMVMNIHFCGAEARPVPHWAKVVILKYMSRILFVYDVGESCLSPRHSQEPEQVTKVYSKLPESNLKTSRNKDLSRKKEVRKLLKNDLGYQGGIPQNTDSYCARYEALTKNIEYIAKCLKDHKATNSKGSEWKKVAKVIDRFFMWIFFAMVFVMTVLIIARAD
  
Component 2
Name:
Neuronal acetylcholine receptor subunit alpha-10
Synonyms:
ACH10_RAT | Chrna10 | Neuronal acetylcholine receptor protein alpha-10 subunit | Nicotinic acetylcholine receptor alpha9/alpha10
Type:
PROTEIN
Mol. Mass.:
49830.54
Organism:
Rattus norvegicus
Description:
ChEMBL_143222
Residue:
447
Sequence:
MGTRSHYLDLGFLLLLFLPAECLGAEGRLAHKLFRDLFANYTSALRPVADTDQTLNVTLEVTLSQIIDMDERNQVLTLYLWIRQEWTDAYLHWDPKAYGDLDAIRIPSRLVWRPDIVLYNKADTQPPASASTNVVVRHDGAVRWDAPAITRSSCRVDVSAFPFDAQRCGLTFGSWTHGGHQLDVRPRGTSASLADFVENVEWRVLGMPARRRVLTYGCCSEPYPDVTFTLLLRRRAAAYVCNLLLPCVFISLLAPLAFHLPADSGEKVSLGVTVLLALTVFQLILAESMPPAESVPLIGKYYMATMTMVTFSTALTILIMNLHYCGPNAHPVPAWARVLLLGHLAKGLCVRERGEPCGQSKPLESAPSLQPPPASPAGPCHEPRCLCHQEALLHHIASIASTFRSHRAAQRRHEDWKRLARVMDRFFLGIFFCMALVMSLIVLVQAL
  
Inhibitor
Name:
BDBM50445326
Synonyms:
CHEMBL3104239
Type:
Small organic molecule
Emp. Form.:
C65H98N22O21S4
Mol. Mass.:
1651.868
SMILES:
CC(C)C[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC1=O)C(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N2)C(C)C |r|
Structure:
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