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Target
Soluble acetylcholine receptor
Ligand
BDBM50139128
Substrate
n/a
Meas. Tech.
ChEMBL_1551158 (CHEMBL3761484)
IC50
28±n/a nM
Citation
 Yu, R; Tabassum, N; Jiang, T Investigation ofa-conotoxin unbinding using umbrella sampling. Bioorg Med Chem Lett 26:1296-300 (2016) [PubMed]  Article 
Target
Name:
Soluble acetylcholine receptor
Synonyms:
Acetylcholine Binding protein | Soluble acetylcholine receptor
Type:
n/a
Mol. Mass.:
26560.08
Organism:
Aplysia Californica
Description:
Q8WSF8
Residue:
236
Sequence:
MLVSVYLALLVACVGQAHSQANLMRLKSDLFNRSPMYPGPTKDDPLTVTLGFTLQDIVKADSSTNEVDLVYYEQQRWKLNSLMWDPNEYGNITDFRTSAADIWTPDITAYSSTRPVQVLSPQIAVVTHDGSVMFIPAQRLSFMCDPTGVDSEEGATCAVKFGSWVYSGFEIDLKTDTDQVDLSSYYASSKYEILSATQTRQVQHYSCCPEPYIDVNLVVKFRERRAGNGFFRNLFD
  
Inhibitor
Name:
BDBM50139128
Synonyms:
CHEMBL3758658
Type:
Small organic molecule
Emp. Form.:
C70H107N19O21S4
Mol. Mass.:
1678.973
SMILES:
[H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@]1([H])CSSC[C@H](NC(=O)CN)C(=O)N[C@@]([H])(CSSC[C@H](NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCCN)NC2=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@@]2([H])C(=O)N2CCC[C@@]2([H])C(=O)N1 |r|
Structure:
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