Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50490821
Substrate
n/a
Meas. Tech.
ChEMBL_954150 (CHEMBL2351423)
KON
167 M-1s-1
Citation
 Kaleem Ahmed, S; Belabassi, Y; Sankaranarayanan, L; Chao, CK; Gerdes, JM; Thompson, CM Synthesis and anti-acetylcholinesterase properties of novel ?- and ?-substituted alkoxy organophosphonates. Bioorg Med Chem Lett 23:2048-51 (2013) [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:
BDBM50490821
Synonyms:
2-Fluoroethyl 4-Nitrophenyl Ethylphosphonate | CHEMBL2348366
Type:
Small organic molecule
Emp. Form.:
C10H13FNO5P
Mol. Mass.:
277.1861
SMILES:
CCP(=O)(OCCF)Oc1ccc(cc1)[N+]([O-])=O
Structure:
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