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Ligand · 1NJ

1NJ · 2-{2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid

1NJ, 2-{2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid (C28 H31 N5 O6, 533.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
1NJ
Formula
C28 H31 N5 O6
Class
ligand
Structures
2
PDB entries
1

Binding sites

1NJ in 2 structures; the first of them:

  • 4JZD · Structure of factor VIIA in complex with the inhibitor… · 1NJ H301 · binds GLN40, LEU41, CYS42, HIS57, THR98, THR99, ASP102, GLN143 and 16 more
  • 4JZD · Structure of factor viia in complex with the inhibitor 2-{2-[(4… · 1NJ H301 · binds GLN40, LEU41, CYS42, HIS57, THR98, THR99, ASP102, GLN143 and 16 more

Residues it binds most

GLY 2, ASP 2, CYS 2, SER 2, THR 2, GLN 2, LYS 4, VAL 2, HIS 2, LEU 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • SO4 · Sulfate ion
  • GOL · Glycerol

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