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Target
Acetylcholine-binding protein
Ligand
BDBM50417090
Substrate
n/a
Meas. Tech.
ChEMBL_665337 (CHEMBL1261014)
Kd
100±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:
BDBM50417090
Synonyms:
CHEMBL1258126
Type:
Small organic molecule
Emp. Form.:
C20H23N3O2
Mol. Mass.:
337.4155
SMILES:
O=C(Nc1ccccc1)O[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:10.10,wD:17.20,TLB:18:17:13.12:15.16,THB:9:10:13.12:15.16,(-6.3,4.21,;-6.28,5.75,;-4.93,6.5,;-3.61,5.71,;-3.63,4.18,;-2.31,3.39,;-.97,4.14,;-.95,5.69,;-2.27,6.47,;-7.6,6.54,;-8.95,5.79,;-10.41,6.43,;-11.77,5.82,;-12.06,4.43,;-10.67,5.06,;-10.93,6.96,;-10.48,8.08,;-9.14,4.41,;-8.38,3.07,;-9.16,1.74,;-10.7,1.76,;-11.5,.43,;-10.72,-.91,;-9.17,-.92,;-8.4,.41,)|
Structure:
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