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Structure Report for: 7QHD

Name|Human Butyrylcholinesterase in complex with (S)-1-(4-((2-(1H-indol-3-yl)ethyl)carbamoyl)benzyl)-N-(3-((1,2,3,4-tetrahydroacridin-9-yl)amino)propyl)piperidine-3-carboxamide, compound 39
Revelation date|21-Dec-2022
Family|BCHE: there are 91 genes in this family, 92 structure(s)
Gene_locus|human-BCHE
PDB File|ESTHER: header of PDB entry RCSB: Full entry
Comment|
Lanlan Jing, Wenxiu Wei, Bairu Meng, Fabien Chantegreil, Florian Nachon, Ana Martnez, Gaochan Wu, Huajun Zhao, Yuning Song, Dongwei Kang, Xavier Brazzolotto, Peng Zhan, Xinyong Liu
Ligand|Inhibitor: C0I-7QHD Ligand in structure: Ligplot


Reference

    Title: Rapid discovery and crystallography study of highly potent and selective butylcholinesterase inhibitors based on oxime-containing libraries and conformational restriction strategies
    Jing L, Wei W, Meng B, Chantegreil F, Nachon F, Martinez A, Wu G, Zhao H, Song Y and Liu X <3 more author(s)>
    Ref: Bioorg Chem, 134:106465, 2023 : PubMed

            



Representative scheme of BCHE structure and an image from PDBsum server



Databases

PDB-Sum7QHD Previously Class, Architecture, Topology and Homologous superfamily - PDB-Sum server
FSSP7QHD Fold classification based on Structure-Structure alignment of Proteins - FSSP server
SCOP7QHD Structural Classification Of Protein - SCOP server
PROTEOPEDIA7qhd 3D, interactive encyclopedia of proteins - PROTEOPEDIA server



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Mail to: Nicolas Lenfant, Thierry Hotelier, Yves Bourne, Pascale Marchot and Arnaud Chatonnet.
Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
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