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Target
Acetylcholinesterase
Ligand
BDBM50394453
Substrate
n/a
Meas. Tech.
ChEMBL_854817 (CHEMBL2162062)
Ki
198±n/a nM
Citation
 Peng, DY; Sun, Q; Zhu, XL; Lin, HY; Chen, Q; Yu, NX; Yang, WC; Yang, GF Design, synthesis, and bioevaluation of benzamides: novel acetylcholinesterase inhibitors with multi-functions on butylcholinesterase, Aß aggregation, andß-secretase. Bioorg Med Chem 20:6739-50 (2012) [PubMed]  Article 
Target
Name:
Acetylcholinesterase
Synonyms:
ACES_HUMAN | ACHE | Acetylcholinesterase (AChE) | Acetylcholinesterase (human AChE)
Type:
Enzyme
Mol. Mass.:
67792.70
Organism:
Homo sapiens (Human)
Description:
P22303
Residue:
614
Sequence:
MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPVSAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSMNYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTELVACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPEDPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGYEIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQYVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQDRCSDL
  
Inhibitor
Name:
BDBM50394453
Synonyms:
CHEMBL2159656
Type:
Small organic molecule
Emp. Form.:
C28H33N4O2
Mol. Mass.:
457.5867
SMILES:
C[N+](C)=c1ccn(CCCCOc2ccc(cc2)C(=O)NCCc2c[nH]c3ccccc23)cc1 |(-4.34,.4,;-4.32,-1.14,;-5.64,-1.92,;-2.97,-1.89,;-2.96,-3.44,;-1.61,-4.2,;-.29,-3.41,;1.08,-4.18,;2.4,-3.39,;3.74,-4.15,;5.07,-3.36,;6.41,-4.12,;7.74,-3.33,;7.73,-1.79,;9.05,-1.01,;10.39,-1.76,;10.41,-3.3,;9.08,-4.09,;11.77,-1.04,;11.75,.49,;13.1,-1.8,;13.12,-3.34,;14.47,-4.09,;14.49,-5.64,;13.26,-6.55,;13.74,-8.02,;15.3,-7.99,;16.34,-9.13,;17.83,-8.79,;18.29,-7.32,;17.25,-6.19,;15.75,-6.52,;-.31,-1.87,;-1.65,-1.11,)|
Structure:
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