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Ligand · 5IG

5IG · 6-(2,4-diamino-6-ethylpyrimidin-5-yl)-4-(3-methoxypropyl)-2,2-dimethyl-2H-1,4-benzoxazin-3(4H)-one

5IG, 6-(2,4-diamino-6-ethylpyrimidin-5-yl)-4-(3-methoxypropyl)-2,2-dimethyl-2H-1,4-benzoxazin-3(4H)-one (C20 H27 N5 O3, 385.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
5IG
Formula
C20 H27 N5 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

5IG in 2 structures; the first of them:

  • 2G1Y · Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring · 5IG A885 · binds THR13, GLN14, TYR15, VAL31, ASP33, GLY35, SER36, TYR78 and 14 more
  • 2G1Y · Ketopiperazine-based renin inhibitors: optimization of the "C" ring · 5IG A885 · binds THR13, GLN14, TYR15, VAL31, ASP33, GLY35, SER36, TYR78 and 14 more

Residues it binds most

SER 4, THR 4, TYR 4, ALA 4, ASP 4, GLY 4, PHE 4, VAL 4, GLN 4, LEU 4 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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