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Ligand · 3IG

3IG · N-{2-[6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2,2-dimethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]ethyl}acetamide

3IG, N-{2-[6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2,2-dimethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl]ethyl}acetamide (C20 H26 N6 O3, 398.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
3IG
Formula
C20 H26 N6 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

3IG in 2 structures; the first of them:

  • 2G1R · Ketopiperazine-Based Renin Inhibitors: Optimization of the C Ring · 3IG A885 · binds THR13, GLN14, TYR15, VAL31, ASP33, GLY35, SER36, TYR78 and 14 more
  • 2G1R · Ketopiperazine-based renin inhibitors: optimization of the C ring · 3IG 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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