Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50608242
Substrate
n/a
Meas. Tech.
ChEMBL_2273307
Ki
37870±n/a nM
Citation
 Lopes, JPB; Silva, L; Lüdtke, DS An overview on the synthesis of carbohydrate-based molecules with biological activity related to neurodegenerative diseases. RSC Med Chem 12:2001-2015 (2021) [PubMed] 
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:
BDBM50608242
Synonyms:
CHEMBL5279509
Type:
Small organic molecule
Emp. Form.:
C19H20ClN5O10
Mol. Mass.:
513.843
SMILES:
CC(=O)Nc1nc(Cl)c2n(cnc2n1)C1O[C@@H]([C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)C(O)=O |r|
Structure:
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