Reaction Details  Report a problem with these data
Target
Acetylcholine-binding protein
Ligand
BDBM50253822
Substrate
n/a
Meas. Tech.
ChEMBL_512492 (CHEMBL966982)
Ki
7900±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:
BDBM50253822
Synonyms:
(1R,4S,10S,16S,19S,22R,27R,30S,33S,36S,43R)-43-(2-aminoacetamido)-30-(carbamoylmethyl)-19-(hydroxymethyl)-36-methyl-16,33-bis(2-methylpropyl)-3,9,15,18,21,29,32,35,38,44-decaoxo-24,25,40,41-tetrathia-2,8,14,17,20,28,31,34,37,45-decaazatetracyclo[20.16.7.0^{4,8}.0^{10,14}]pentatetracontane-27-carboxylic acid | CHEMBL449501
Type:
Small organic molecule
Emp. Form.:
C46H73N13O15S4
Mol. Mass.:
1176.41
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)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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