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Ligand · I2H

I2H · 5-{[(2S)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl}pyrimidine-2,4-diamine

I2H, 5-{[(2S)-2-cyclopropyl-7,8-dimethoxy-2H-chromen-5-yl]methyl}pyrimidine-2,4-diamine (C19 H22 N4 O3, 354.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5…

Component
I2H
Formula
C19 H22 N4 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

I2H in 2 structures; the first of them:

  • 3FRA · Staphylococcus aureus F98Y DHFR complexed with iclaprim · I2H X300 · binds LEU5, VAL6, ALA7, ASN18, GLN19, LEU20, ASP27, LEU28 and 7 more
  • 3FRA · Staphylococcus aureus F98Y DHFR complexed with iclaprim · I2H X300 · binds LEU5, VAL6, ALA7, ASN18, GLN19, LEU20, ASP27, LEU28 and 7 more

Residues it binds most

LEU 2, VAL 2, ALA 2, ASN 2, ASP 2, GLN 2, GLY 2, ILE 2, PHE 2, SER 2 (residue and the binding sites it lines).

Found with

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate

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