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Ligand · J3X

J3X · 4-((5-bromofuran-2-yl)methyl)-8-(2-chloroacetyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one

J3X, 4-((5-bromofuran-2-yl)methyl)-8-(2-chloroacetyl)-1-thia-4,8-diazaspiro[4.5]decan-3-one (C14 H16 Br Cl N2 O3 S, 407.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
J3X
Formula
C14 H16 Br Cl N2 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

J3X in 2 structures; the first of them:

  • 7EFX · Crystal Structure of human PIN1 complexed with covalent inhibitor · J3X A201 · binds HIS59, LEU61, LYS63, ARG68, ARG69, ASP112, CYS113, SER114 and 8 more
  • 7EFX · Crystal structure of human PIN1 complexed with covalent inhibitor · J3X A201 · binds HIS59, LEU61, ARG69, CYS113, SER114, GLN129, MET130, GLN131 and 3 more

Residues it binds most

SER 2, GLN 2, HIS 2, ARG 2, LEU 2, CYS 2, MET 2, PHE 2, ASP 1, LYS 1 (residue and the binding sites it lines).

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