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Ligand · 3FI

3FI · 3-{(E)-[(3-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}propoxy)imino]methyl}benzoic acid

3FI, 3-{(E)-[(3-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]amino}propoxy)imino]methyl}benzoic acid (C16 H18 N4 O5, 346.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
3FI
Formula
C16 H18 N4 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

3FI in 2 structures; the first of them:

  • 3FCI · Complex of UNG2 and a fragment-based designed inhibitor · 3FI A1 · binds GLY143, GLN144, ASP145, PRO146, TYR147, LEU156, CYS157, PHE158 and 8 more
  • 3FCI · Complex of UNG2 and a fragment-based designed inhibitor · 3FI A1 · binds GLY143, GLN144, ASP145, PRO146, TYR147, LEU156, CYS157, PHE158 and 8 more

Residues it binds most

SER 2, GLY 2, TYR 2, ASN 2, ASP 2, CYS 2, GLN 2, HIS 2, LEU 2, PHE 2 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • SCN · Thiocyanate ion

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