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Ligand · 4G5

4G5 · 4-[(2-amino-2-oxoethyl)(methyl)carbamoyl]-2-phenyl-1H-imidazole-5-carboxylic acid

4G5, 4-[(2-amino-2-oxoethyl)(methyl)carbamoyl]-2-phenyl-1H-imidazole-5-carboxylic acid (C14 H14 N4 O4, 302.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5…

Component
4G5
Formula
C14 H14 N4 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

4G5 in 2 structures; the first of them:

  • 2XPA · Discovery of cell-active phenyl-imidazole PIN1 inhibitors by structure-guided fragment… · 4G5 A1165 · binds HIS59, LEU61, LYS63, ARG68, ARG69, ASP112, CYS113, SER114 and 7 more
  • 2XPA · Discovery of cell-active phenyl-imidazole PIN1 inhibitors by structure-guided fragment… · 4G5 A1165 · binds HIS59, LEU61, LYS63, ARG68, ARG69, ASP112, CYS113, SER114 and 7 more

Residues it binds most

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

Found with

  • 12P · Dodecaethylene glycol

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