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Target
Acetylcholine-binding protein
Ligand
BDBM50417097
Substrate
n/a
Meas. Tech.
ChEMBL_665337 (CHEMBL1261014)
Kd
550±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:
BDBM50417097
Synonyms:
CHEMBL1256002
Type:
Small organic molecule
Emp. Form.:
C13H19N3
Mol. Mass.:
217.3101
SMILES:
N[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,(-1.74,-33.45,;-3.08,-34.2,;-4.55,-33.56,;-5.9,-34.17,;-6.18,-35.56,;-4.81,-34.93,;-5.07,-33.03,;-4.62,-31.92,;-3.28,-35.58,;-2.52,-36.92,;-3.3,-38.25,;-4.84,-38.23,;-5.62,-39.56,;-4.86,-40.9,;-3.31,-40.91,;-2.54,-39.58,)|
Structure:
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