7AWI

Name : Crystal structure of human butyrylcholinesterase in complex with compound 70 tert-butyl 3-(((2-((1-benzyl-1H-indol-4-yl)oxy)ethyl)amino)methyl]piperidine-1-carboxylate

Revelation date : 29-Sep-2021

Family : BCHE

Gene_locus : human-BCHE

PDB file : ESTHER: header of PDB entry RCSB: Full entry

Comment

Ligand : Inhibitor Cpd70-BChEin-5-HT6 Ligand in structure: Ligplot

References (1)

Title : Development and crystallography-aided SAR studies of multifunctional BuChE inhibitors and 5-HT6R antagonists with beta-amyloid anti-aggregation properties - Wichur_2021_Eur.J.Med.Chem_225_113792

Author(s) : Wichur T , Godyn J , Goral I , Latacz G , Bucki A , Siwek A , Gluch-Lutwin M , Mordyl B , Sniecikowska J , Walczak M , Knez D , Jukic M , Salat K , Gobec S , Kolaczkowski M , Malawska B , Brazzolotto X , Wieckowska A

Ref : Eur Journal of Medicinal Chemistry , 225 :113792 , 2021

Abstract :

PubMedSearch : Wichur_2021_Eur.J.Med.Chem_225_113792

PubMedID: 34530376

Gene_locus related to this paper: human-BCHE

Representative scheme of Prolylcarboxypeptidase structure and an image from PDBsum server

Databases

PDB-Sum : 7AWI Previously Class, Architecture, Topology and Homologous superfamily - PDB-Sum server

FSSP : 7AWI Fold classification based on Structure-Structure alignment of Proteins - FSSP server

SCOP : 7AWI Structural Classification Of Protein - SCOP server

PROTEOPEDIA : 7AWI 3D, interactive encyclopedia of proteins - PROTEOPEDIA server

7AWI

References (1)

1. Development and crystallography-aided SAR studies of multifunctional BuChE inhibitors and 5-HT6R antagonists with beta-amyloid anti-aggregation properties - Wichur_2021_Eur.J.Med.Chem_225_113792

Representative scheme of Prolylcarboxypeptidase structure and an image from PDBsum server

Databases