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Ligand · 4O5

4O5 · 4-[(3S)-3-({[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}amino)-2-oxo-2,3-dihydro-1H-pyrrol-1-yl]-3-fluoro-N-methylbenzamide

4O5, 4-[(3S)-3-({[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}amino)-2-oxo-2,3-dihydro-1H-pyrrol-1-yl]-3-fluoro-N-methylbenzamide (C18 H15 Cl F N3 O4 S2, 455.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
4O5
Formula
C18 H15 Cl F N3 O4 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

4O5 in 2 structures; the first of them:

  • 4ZHA · Factor Xa complex with GTC000102 · 4O5 A303 · binds GLU97, THR98, TYR99, PHE174, ILE175, ASP189, ALA190, CYS191 and 10 more
  • 4ZHA · Factor xa complex with GTC000102 · 4O5 A303 · binds GLU97, THR98, TYR99, PHE174, ILE175, ASP189, ALA190, CYS191 and 10 more

Residues it binds most

GLY 2, CYS 2, ILE 2, TYR 2, ALA 2, ASP 2, GLN 2, GLU 2, PHE 2, SER 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • MG · Magnesium ion

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