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Ligand · 1OJ

1OJ · (2R)-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-2-(isoquinolin-6-ylamino)-N-[(3-sulfamoylphenyl)sulfonyl]ethanamide

1OJ, (2R)-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-2-(isoquinolin-6-ylamino)-N-[(3-sulfamoylphenyl)sulfonyl]ethanamide (C28 H30 N4 O7 S2, 598.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
1OJ
Formula
C28 H30 N4 O7 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

1OJ in 2 structures; the first of them:

  • 4JYV · Structure of factor VIIA in complex with the inhibitor… · 1OJ H301 · binds HIS57, ASP60, GLY97, THR98, THR99, ASP102, PRO170I, ASP189 and 12 more
  • 4JYV · Structure of factor viia in complex with the inhibitor (2R)-2-[3… · 1OJ H301 · binds HIS57, ASP60, GLY97, THR98, THR99, ASP102, PRO170I, ASP189 and 12 more

Residues it binds most

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

Found with

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

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