Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM82305
Substrate
n/a
Meas. Tech.
Enzyme Assay
pH
4±0
Temperature
298.15±0 K
IC50
2.30±0.09 nM
Citation
 Bunyapaiboonsri, T; Ramström, O; Lohmann, S; Lehn, JM; Peng, L; Goeldner, M Dynamic deconvolution of a pre-equilibrated dynamic combinatorial library of acetylcholinesterase inhibitors. Chembiochem 2:438-44 (2001) [PubMed]  Article 
Target
Name:
Acetylcholinesterase
Synonyms:
ACES_TORMA | Acetylcholinesterase (AChE) | ache
Type:
Enzyme
Mol. Mass.:
66739.82
Organism:
Torpedo marmorata (Marbled electric ray)
Description:
P07692
Residue:
590
Sequence:
MREMNLLVTSSLGVLLHLVVLCQADDDSELLVNTKSGKVMRTRIPVLSSHISAFLGIPFAEPPVGNMRFRRPEPKKPWSGVWNASTYPNNCQQYVDEQFPGFPGSEMWNPNREMSEDCLYLNIWVPSPRPKSATVMLWIYGGGFYSGSSTLDVYNGKYLAYTEEVVLVSLSYRVGAFGFLALHGSQEAPGNMGLLDQRMALQWVHDNIQFFGGDPKTVTLFGESAGRASVGMHILSPGSRDLFRRAILQSGSPNCPWASVSVAEGRRRAVELRRNLNCNLNSDEDLIQCLREKKPQELIDVEWNVLPFDSIFRFSFVPVIDGEFFPTSLESMLNAGNFKKTQILLGVNKDEGSFFLLYGAPGFSKDSESKISREDFMSGVKLSVPHANDLGLDAVTLQYTDWMDDNNGIKNRDGLDDIVGDHNVICPLMHFVNKYTKFGNGTYLYFFNHRASNLVWPEWMGVIHGYEIEFVFGLPLVKELNYTAEEEALSRRIMHYWATFAKTGNPNEPHSQESKWPLFTTKEQKFIDLNTEPIKVHQRLRVQMCVFWNQFLPKLLNATACDGELSSSGTSSSKGIIFYVLFSILYLIFY
  
Inhibitor
Name:
BDBM82305
Synonyms:
Terephthalaldehyde, 4-I-4
Type:
Small organic molecule
Emp. Form.:
C22H22N6O2
Mol. Mass.:
402.448
SMILES:
O=C(C[n+]1ccccc1)NN=Cc1ccc(C=NNC(=O)C[n+]2ccccc2)cc1 |w:10.10,16.16|
Structure:
Search PDB for entries with ligand similarity: