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Ligand · 4JY

4JY · 4-[[(R)-(5-ethoxy-2-fluoranyl-3-propan-2-yloxy-phenyl)-(4-phenyl-1H-imidazol-2-yl)methyl]amino]benzenecarboximidamide

4JY, 4-[[(R)-(5-ethoxy-2-fluoranyl-3-propan-2-yloxy-phenyl)-(4-phenyl-1H-imidazol-2-yl)methyl]amino]benzenecarboximidamide (C28 H30 F N5 O2, 487.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
4JY
Formula
C28 H30 F N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

4JY in 2 structures; the first of them:

  • 4YT6 · Factor VIIa in complex with the inhibitor 4-{[(R)-[5-ethoxy-2-fluoro-3-(propan-2-yloxy)phe… · 4JY H301 · binds LEU41, CYS42, HIS57, CYS58, LYS60A, THR98, THR99, ASP102 and 15 more
  • 4YT6 · Factor viia in complex with the inhibitor 4-{[(R)-[5-ethoxy-2-fluoro… · 4JY H301 · binds LEU41, CYS42, HIS57, CYS58, LYS60A, THR98, THR99, ASP102 and 15 more

Residues it binds most

CYS 2, GLY 2, SER 2, ASP 2, LYS 2, THR 2, VAL 2, GLN 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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