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Ligand · 5I8

5I8 · 2-(4,6-dimethylpyrimidin-2-yl)-3H-isoindol-1-imine

5I8, 2-(4,6-dimethylpyrimidin-2-yl)-3H-isoindol-1-imine (C14 H14 N4, 238.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and…

Component
5I8
Formula
C14 H14 N4
Class
ligand
Structures
2
PDB entries
1

Binding sites

5I8 in 2 structures; the first of them:

  • 7P42 · Crystal structure of IpgC in complex with a follow-up compound based on J2 · 5I8 B204 · binds TYR44, TYR47, PHE59, MET74, GLY75, ALA78, ILE79, THR105
  • 7P42 · Crystal structure of ipgc in complex with a follow-up compound based on J2 · 5I8 B204 · binds TYR44, TYR47, PHE59, MET74, GLY75, ALA78

Residues it binds most

TYR 2, ALA 2, GLY 2, MET 2, PHE 2, ILE 1, THR 1 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • CL · Chloride ion
  • DMS · Dimethyl sulfoxide
  • PEG · Di(hydroxyethyl)ether

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