9GCR

Name : Human Butyrylcholinesterase in complex with N1,N1-dimethyl-N2-(6-(naphthalen-1-yl)-5-(pyridin-4-yl)pyridazin-3-yl)ethane-1,2-diamine. Multitarget p38-MAPK-inhibitor BChE

Revelation date : 13-Aug-2025

Family : BCHE

Gene_locus : human-BCHE

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

Comment
Brazzolotto, X.,Meden, A.,Knez, D.,Gobec, S.,Nachon, F.

Ligand : Inhibitor A1IKD Ligand in structure: Ligplot

References (1)

Title : Dual Inhibitors of p38alpha Mitogen-Activated Protein Kinase and Butyrylcholinesterase for the Modulation of Neuroinflammation and Cognitive Dysfunction - Knez_2026_J.Med.Chem_69_19891
Author(s) : Knez D , Malinak D , Meden A , Ferjancic Benetik S , Pislar A , Kohoutova Z , Vondrackova I , Psotka M , Lycka A , Pulkrabkova L , Soukup O , Skarka A , Andrys R , Brazzolotto X , Igert A , Dias J , Nachon F , Detka J , Targosinski F , Hliabovich D , Brunzelle JS , Shuvalova L , Salat K , Roy SM , Watterson DM , Musilek K , Gobec S
Ref : Journal of Medicinal Chemistry , 69 :19891 , 2026
Abstract :
PubMedSearch : Knez_2026_J.Med.Chem_69_19891
PubMedID: 42679157
Gene_locus related to this paper: human-BCHE

Representative scheme of Prolylcarboxypeptidase structure and an image from PDBsum server

Databases

PDB-Sum : 9GCR Previously Class, Architecture, Topology and Homologous superfamily - PDB-Sum server

FSSP : 9GCR Fold classification based on Structure-Structure alignment of Proteins - FSSP server

SCOP : 9GCR Structural Classification Of Protein - SCOP server

PROTEOPEDIA : 9GCR 3D, interactive encyclopedia of proteins - PROTEOPEDIA server