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Target
Acetylcholine-binding protein
Ligand
BDBM50253825
Substrate
n/a
Meas. Tech.
ChEMBL_512492 (CHEMBL966982)
Ki
3100±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:
BDBM50253825
Synonyms:
(1R,6R,9S,12S,18S,21S,24S,27S,30R,33S,39S,45S,48S,53R)-53-(2-aminoacetamido)-18,21-bis(carbamoylmethyl)-9-(carboxymethyl)-48-(hydroxymethyl)-27-methyl-24,45-bis(2-methylpropyl)-8,11,17,20,23,26,29,32,38,44,47,50,52-tridecaoxo-3,4,55,56-tetrathia-7,10,16,19,22,25,28,31,37,43,46,49,51-tridecaazapentacyclo[28.20.7.0^{12,16}.0^{33,37}.0^{39,43}]heptapentacontane-6-carboxylic acid | CHEMBL443173
Type:
Small organic molecule
Emp. Form.:
C59H91N17O21S4
Mol. Mass.:
1502.715
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(O)=O)NC(=O)[C@@H]3CCCN3C(=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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