Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50490822
Substrate
n/a
Meas. Tech.
ChEMBL_954151 (CHEMBL2351424)
KON
1033 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_RAT | Acetylcholinesterase (AChE) | Acetylcholinesterase and butyrylcholinesterase (AChE and BChE) | Acetylcholinesterase precursor | Acetylcholinesterase, AChE | Ache
Type:
Enzyme
Mol. Mass.:
68193.62
Organism:
Rattus norvegicus (rat)
Description:
P37136
Residue:
614
Sequence:
MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPVSAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSMNYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASVGMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTELISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVGVVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPEDPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGYEIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQYVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQERCSDL
  
Inhibitor
Name:
BDBM50490822
Synonyms:
2-Fluoroethyl 4-Nitrophenyl Methylphosphonate | CHEMBL2348365
Type:
Small organic molecule
Emp. Form.:
C9H11FNO5P
Mol. Mass.:
263.1595
SMILES:
CP(=O)(OCCF)Oc1ccc(cc1)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: