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Target
Acetylcholinesterase
Ligand
BDBM55727
Substrate
n/a
Meas. Tech.
ChEMBL_1620689 (CHEMBL3862972)
IC50
30±n/a nM
Citation
 Engdahl, C; Knutsson, S; Ekström, F; Linusson, A Discovery of Selective Inhibitors Targeting Acetylcholinesterase 1 from Disease-Transmitting Mosquitoes. J Med Chem 59:9409-9421 (2016) [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:
BDBM55727
Synonyms:
2-(2,4-dichlorophenoxy)-N-[4-(1-piperidinylmethyl)phenyl]acetamide | 2-(2,4-dichlorophenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]acetamide | 2-(2,4-dichlorophenoxy)-N-[4-(piperidinomethyl)phenyl]acetamide | 2-[2,4-bis(chloranyl)phenoxy]-N-[4-(piperidin-1-ylmethyl)phenyl]ethanamide | MLS000663765 | SMR000293060 | cid_1395053
Type:
Small organic molecule
Emp. Form.:
C20H22Cl2N2O2
Mol. Mass.:
393.307
SMILES:
Clc1ccc(OCC(=O)Nc2ccc(CN3CCCCC3)cc2)c(Cl)c1
Structure:
Search PDB for entries with ligand similarity: