Reaction Details  Report a problem with these data
Target
Acetylcholine-binding protein
Ligand
BDBM50419183
Substrate
n/a
Meas. Tech.
ChEMBL_770043 (CHEMBL1832418)
Ki
12589.25±n/a nM
Citation
 Akdemir, A; Rucktooa, P; Jongejan, A; Elk, R; Bertrand, S; Sixma, TK; Bertrand, D; Smit, AB; Leurs, R; de Graaf, C; de Esch, IJ Acetylcholine binding protein (AChBP) as template for hierarchical in silico screening procedures to identify structurally novel ligands for the nicotinic receptors. Bioorg Med Chem 19:6107-19 (2011) [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:
BDBM50419183
Synonyms:
CHEMBL1831045
Type:
Small organic molecule
Emp. Form.:
C13H17Cl2N
Mol. Mass.:
258.187
SMILES:
CC(C)(C)C(N)\C=C\c1ccc(Cl)cc1Cl
Structure:
Search PDB for entries with ligand similarity: