Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50308514
Substrate
n/a
Meas. Tech.
ChEMBL_613426 (CHEMBL1069537)
IC50
6000±n/a nM
Citation
 Dutta, S; Malla, RK; Bandyopadhyay, S; Spilling, CD; Dupureur, CM Synthesis and kinetic analysis of some phosphonate analogs of cyclophostin as inhibitors of human acetylcholinesterase. Bioorg Med Chem 18:2265-74 (2010) [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:
BDBM50308514
Synonyms:
(2R,6R)-6-Benzyloxymethyl-2-methoxy-4-methyl-2-oxo-6,7-dihydro-2lambda*5*-[1,3,2]dioxaphosphepine-5-carboxylic acid methyl ester | CHEMBL606034
Type:
Small organic molecule
Emp. Form.:
C17H23O6P
Mol. Mass.:
354.3347
SMILES:
COC(=O)C1=C(C)O[P@](=O)(CC[C@H]1COCc1ccccc1)OC |r,c:4|
Structure:
Search PDB for entries with ligand similarity: