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Ligand · 4IG

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

4IG, (2S)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-difluorophenyl)-4-(3-methoxypropyl)-2H-1,4-benzoxazin-3(4H)-one (C24 H25 F2 N5 O3, 469.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
4IG
Formula
C24 H25 F2 N5 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

4IG in 2 structures; the first of them:

  • 2G1S · Ketopiperazine-Based Renin Inhibitors: Optimization of the C Ring · 4IG A885 · binds THR13, GLN14, TYR15, VAL31, ASP33, GLY35, SER36, TYR78 and 13 more
  • 2G1S · Ketopiperazine-based renin inhibitors: optimization of the C ring · 4IG A885 · binds THR13, GLN14, TYR15, VAL31, ASP33, GLY35, SER36, TYR78 and 13 more

Residues it binds most

SER 4, THR 4, TYR 4, ASP 4, GLY 4, PHE 4, VAL 4, ALA 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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