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Ligand · 1IG

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

1IG, N-{2-[6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2,2-dimethyl-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl]ethyl}acetamide (C20 H26 N6 O2 S, 414.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
1IG
Formula
C20 H26 N6 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

1IG in 2 structures; the first of them:

  • 2G1N · Ketopiperazine-based renin inhibitors: Optimization of the "C" ring · 1IG A885 · binds THR13, GLN14, TYR15, VAL31, ASP33, GLY35, SER36, TYR78 and 12 more
  • 2G1N · Ketopiperazine-based renin inhibitors: optimization of the "C" ring · 1IG A885 · binds THR13, GLN14, TYR15, VAL31, ASP33, GLY35, SER36, TYR78 and 12 more

Residues it binds most

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

Found with

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

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