Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50487249
Substrate
n/a
Meas. Tech.
ChEMBL_908910 (CHEMBL3068296)
IC50
4500±n/a nM
Citation
 Zhao, Q; Xie, R; Zhang, T; Fang, J; Mei, X; Ning, J; Tang, Y Homo- and hetero-dimers of inactive organophosphorous group binding at dual sites of AChE. Bioorg Med Chem Lett 21:6404-8 (2011) [PubMed]  Article 
Target
Name:
Acetylcholinesterase
Synonyms:
3.1.1.7 | ACES_DROME | AChE | Ace | Acetylcholinesterase | Acetylcholinesterase 16 kDa subunit | Acetylcholinesterase 55 kDa subunit
Type:
PROTEIN
Mol. Mass.:
71779.09
Organism:
Drosophila melanogaster
Description:
ChEMBL_105534
Residue:
649
Sequence:
MAISCRQSRVLPMSLPLPLTIPLPLVLVLSLHLSGVCGVIDRLVVQTSSGPVRGRSVTVQGREVHVYTGIPYAKPPVEDLRFRKPVPAEPWHGVLDATGLSATCVQERYEYFPGFSGEEIWNPNTNVSEDCLYINVWAPAKARLRHGRGANGGEHPNGKQADTDHLIHNGNPQNTTNGLPILIWIYGGGFMTGSATLDIYNADIMAAVGNVIVASFQYRVGAFGFLHLAPEMPSEFAEEAPGNVGLWDQALAIRWLKDNAHAFGGNPEWMTLFGESAGSSSVNAQLMSPVTRGLVKRGMMQSGTMNAPWSHMTSEKAVEIGKALINDCNCNASMLKTNPAHVMSCMRSVDAKTISVQQWNSYSGILSFPSAPTIDGAFLPADPMTLMKTADLKDYDILMGNVRDEGTYFLLYDFIDYFDKDDATALPRDKYLEIMNNIFGKATQAEREAIIFQYTSWEGNPGYQNQQQIGRAVGDHFFTCPTNEYAQALAERGASVHYYYFTHRTSTSLWGEWMGVLHGDEIEYFFGQPLNNSLQYRPVERELGKRMLSAVIEFAKTGNPAQDGEEWPNFSKEDPVYYIFSTDDKIEKLARGPLAARCSFWNDYLPKVRSWAGTCDGDSGSASISPRLQLLGIAALIYICAALRTKRVF
  
Inhibitor
Name:
BDBM50487249
Synonyms:
CHEMBL2252721
Type:
Small organic molecule
Emp. Form.:
C20H30NO5PS
Mol. Mass.:
427.495
SMILES:
CCOP(=O)(OCC)SCCCCCCCCN1C(=O)c2ccccc2C1=O
Structure:
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