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Target
Acetylcholine-binding protein
Ligand
BDBM50417100
Substrate
n/a
Meas. Tech.
ChEMBL_665339 (CHEMBL1261016)
Ki
147.91±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:
BDBM50417100
Synonyms:
CHEMBL1258125
Type:
Small organic molecule
Emp. Form.:
C18H21N3OS
Mol. Mass.:
327.444
SMILES:
O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cccs1 |r,wU:3.2,wD:10.12,TLB:11:10:6.5:8.9,THB:2:3:6.5:8.9,(18.11,-17.12,;18.13,-15.58,;16.81,-14.79,;15.46,-15.54,;14,-14.9,;12.64,-15.51,;12.37,-16.9,;13.74,-16.27,;13.48,-14.37,;13.93,-13.26,;15.27,-16.92,;16.03,-18.27,;15.25,-19.59,;13.71,-19.57,;12.93,-20.9,;13.69,-22.24,;15.24,-22.25,;16.01,-20.92,;19.48,-14.83,;19.65,-13.3,;21.16,-13,;21.91,-14.34,;20.87,-15.48,)|
Structure:
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