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Target
Acetylcholine-binding protein
Ligand
BDBM50417102
Substrate
n/a
Meas. Tech.
ChEMBL_665337 (CHEMBL1261014)
Kd
4467±n/a nM
Citation
 de Kloe, GE; Retra, K; Geitmann, M; Källblad, P; Nahar, T; van Elk, R; Smit, AB; van Muijlwijk-Koezen, JE; Leurs, R; Irth, H; Danielson, UH; de Esch, IJ Surface plasmon resonance biosensor based fragment screening using acetylcholine binding protein identifies ligand efficiency hot spots (LE hot spots) by deconstruction of nicotinic acetylcholine receptora7 ligands. J Med Chem 53:7192-201 (2010) [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:
BDBM50417102
Synonyms:
CHEMBL1255908
Type:
Small organic molecule
Emp. Form.:
C14H17BrN2O2
Mol. Mass.:
325.201
SMILES:
Brc1ccc(NC(=O)O[C@H]2CN3CCC2CC3)cc1 |r,wU:9.8,THB:8:9:12.13:16.15,(-.86,-29.32,;-2.18,-28.53,;-3.53,-29.28,;-4.85,-28.5,;-4.83,-26.95,;-6.15,-26.17,;-7.5,-26.92,;-7.52,-28.46,;-8.82,-26.13,;-10.17,-26.88,;-10.36,-28.26,;-11.91,-27.61,;-13.28,-28.24,;-13,-26.85,;-11.64,-26.24,;-11.71,-24.6,;-12.15,-25.71,;-3.49,-26.2,;-2.17,-26.98,)|
Structure:
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