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Ligand · IEE

IEE · 6-chloro-4-N-[(4-methylphenyl)methyl]pyrimidine- 2,4-diamine

IEE, 6-chloro-4-N-[(4-methylphenyl)methyl]pyrimidine- 2,4-diamine (C12 H13 Cl N4, 248.7 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…

Component
IEE
Formula
C12 H13 Cl N4
Class
ligand
Structures
2
PDB entries
1

Binding sites

IEE in 2 structures; the first of them:

  • 5FNC · Dynamic Undocking and the Quasi-Bound State as tools for Drug Design · IEE A1225 · binds ASN51, SER52, ALA55, ASP93, ILE96, GLY97, MET98, LEU107 and 7 more
  • 5FNC · Dynamic undocking and the quasi-bound state as tools for drug design · IEE A1225 · binds ASN51, SER52, ALA55, ASP93, ILE96, GLY97, MET98, LEU107 and 7 more

Residues it binds most

ALA 2, GLY 2, ILE 2, ASN 2, ASP 2, LEU 2, MET 2, PHE 2, SER 2, THR 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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