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Ligand · 4K1

4K1 · 2-[2-[(R)-[(4-carbamimidoylphenyl)amino]-(5-ethoxy-2-fluoranyl-3-propan-2-yloxy-phenyl)methyl]-1H-imidazol-4-yl]benzamide

4K1, 2-[2-[(R)-[(4-carbamimidoylphenyl)amino]-(5-ethoxy-2-fluoranyl-3-propan-2-yloxy-phenyl)methyl]-1H-imidazol-4-yl]benzamide (C29 H31 F N6 O3, 530.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
4K1
Formula
C29 H31 F N6 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

4K1 in 2 structures; the first of them:

  • 4YT7 · Factor VIIa in complex with the inhibitor 2-(2-{(R)-[(4-carbamimidoylphenyl)amino][5-ethox… · 4K1 H301 · binds LEU41, CYS42, HIS57, CYS58, ASP60, LYS60A, THR98, THR99 and 16 more
  • 4YT7 · Factor viia in complex with the inhibitor 2-(2-{(R)-[(4… · 4K1 H301 · binds LEU41, CYS42, HIS57, CYS58, ASP60, LYS60A, THR98, THR99 and 16 more

Residues it binds most

CYS 2, ASP 2, GLY 2, SER 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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