GL1X · GenesisL1 explorer

Ligand · I0I

I0I · 3-[(R)-[(2E,4S)-2-imino-4-methyl-6-oxo-4-(propan-2-yl)-1,3-diazinan-1-yl](phenyl)methyl]-N-[(1S)-1-phenylethyl]benzamide

I0I, 3-[(R)-[(2E,4S)-2-imino-4-methyl-6-oxo-4-(propan-2-yl)-1,3-diazinan-1-yl](phenyl)methyl]-N-[(1S)-1-phenylethyl]benzamide (C30 H34 N4 O2, 482.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
I0I
Formula
C30 H34 N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

I0I in 2 structures; the first of them:

  • 7TBE · Crystal structure of Plasmepsin X from Plasmodium vivax in complex with WM4 · I0I A701 · binds ILE229, ASP231, GLY233, SER234, PHE276, SER278, ILE318, PHE319 and 11 more
  • 7TBE · Crystal structure of plasmepsin X from plasmodium vivax in complex with WM4 · I0I A701 · binds ILE229, ASP231, GLY233, SER234, PHE276, SER278, ILE318, PHE319 and 11 more

Residues it binds most

ILE 8, PHE 8, SER 8, ASP 8, GLY 8, LEU 8, THR 8, TYR 8, GLN 6, MET 6 (residue and the binding sites it lines).

Found with

  • BMA · beta-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • SO4 · Sulfate ion

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