Target
Acetylcholine-binding protein
Ligand
BDBM50417103
Substrate
n/a
Meas. Tech.
ChEMBL_665339 (CHEMBL1261016)
Ki
251.19±n/a nM
Citation
 de Kloe, GERetra, KGeitmann, MKällblad, PNahar, Tvan Elk, RSmit, ABvan Muijlwijk-Koezen, JELeurs, RIrth, HDanielson, UHde 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:
BDBM50417103
Synonyms:
CHEMBL1256001
Type:
Small organic molecule
Emp. Form.:
C13H18N2O
Mol. Mass.:
218.2948
SMILES:
O[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:1.0,wD:8.10,TLB:9:8:4.3:6.7,THB:0:1:4.3:6.7,(-8.12,-33.73,;-9.46,-34.48,;-10.93,-33.84,;-12.29,-34.45,;-12.57,-35.84,;-11.19,-35.21,;-11.45,-33.31,;-11,-32.2,;-9.66,-35.86,;-8.9,-37.2,;-9.68,-38.53,;-11.22,-38.51,;-12.01,-39.83,;-11.25,-41.17,;-9.69,-41.18,;-8.92,-39.86,)|
Structure:
Search PDB for entries with ligand similarity: