Reaction Details Report a problem with these data
Target
Nicotinic acetylcholine receptor alpha9/alpha10
Ligand
BDBM50032829
Substrate
n/a
Meas. Tech.
ChEMBL_1858087 (CHEMBL4358816)
IC50
4.6±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:
Rat
Description:
ChEMBL_143222
Residue:
447
Sequence:
MGTRSHYLDLGFLLLLFLPAECLGAEGRLAHKLFRDLFANYTSALRPVADTDQTLNVTLEVTLSQIIDMDERNQVLTLYLWIRQEWTDAYLHWDPKAYGDLDAIRIPSRLVWRPDIVLYNKADTQPPASASTNVVVRHDGAVRWDAPAITRSSCRVDVSAFPFDAQRCGLTFGSWTHGGHQLDVRPRGTSASLADFVENVEWRVLGMPARRRVLTYGCCSEPYPDVTFTLLLRRRAAAYVCNLLLPCVFISLLAPLAFHLPADSGEKVSLGVTVLLALTVFQLILAESMPPAESVPLIGKYYMATMTMVTFSTALTILIMNLHYCGPNAHPVPAWARVLLLGHLAKGLCVRERGEPCGQSKPLESAPSLQPPPASPAGPCHEPRCLCHQEALLHHIASIASTFRSHRAAQRRHEDWKRLARVMDRFFLGIFFCMALVMSLIVLVQAL
  
Inhibitor
Name:
BDBM50032829
Synonyms:
CHEMBL1836968
Type:
Small organic molecule
Emp. Form.:
C59H95N25O18S4
Mol. Mass.:
1570.802
SMILES:
[H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]([H])(CSSC[C@H](NC(=O)CN)C(=O)N1)NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Structure:
Search PDB for entries with ligand similarity: