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Target
Acetylcholine-binding protein
Ligand
BDBM50253823
Substrate
n/a
Meas. Tech.
ChEMBL_512492 (CHEMBL966982)
Ki
4500±n/a nM
Citation
 Jin, AH; Daly, NL; Nevin, ST; Wang, CI; Dutertre, S; Lewis, RJ; Adams, DJ; Craik, DJ; Alewood, PF Molecular engineering of conotoxins: the importance of loop size to alpha-conotoxin structure and function. J Med Chem 51:5575-84 (2008) [PubMed]  Article
Target
Name:
Acetylcholine-binding protein
Synonyms:
ACHP_LYMST | ACh-binding protein | Acetylcholine Binding protein | Acetylcholine-binding protein (AchBP) | Acetylcholine-binding protein (Ls-AchBP) | AchBP
Type:
n/a
Mol. Mass.:
26055.52
Organism:
Lymnaea stagnalis
Description:
Soluble acetylcholine receptor
Residue:
229
Sequence:
MRRNIFCLACLWIVQACLSLDRADILYNIRQTSRPDVIPTQRDRPVAVSVSLKFINILEVNEITNEVDVVFWQQTTWSDRTLAWNSSHSPDQVSVPISSLWVPDLAAYNAISKPEVLTPQLARVVSDGEVLYMPSIRQRFSCDVSGVDTESGATCRIKIGSWTHHSREISVDPTTENSDDSEYFSQYSRFEILDVTQKKNSVTYSCCPEAYEDVEVSLNFRKKGRSEIL
  
Inhibitor
Name:
BDBM50253823
Synonyms:
(1R,4S,10S,16S,19S,22R,27R,30S,33S,36S,39S,46R)-46-(2-aminoacetamido)-30,33-bis(carbamoylmethyl)-19-(hydroxymethyl)-39-methyl-16,36-bis(2-methylpropyl)-3,9,15,18,21,29,32,35,38,41,47-undecaoxo-24,25,43,44-tetrathia-2,8,14,17,20,28,31,34,37,40,48-undecaazatetracyclo[20.19.7.0^{4,8}.0^{10,14}]octatetracontane-27-carboxylic acid | CHEMBL460988
Type:
Small organic molecule
Emp. Form.:
C50H79N15O17S4
Mol. Mass.:
1290.513
SMILES:
CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H]2CSSC[C@H](NC(=O)CN)C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC1=O)C(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N2 |r|
Structure:
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