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Ligand · FI1

FI1 · 6-chloro-N-((3S)-2-oxo-1-(2-oxo-2-((5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)ethyl)piperidin-3-yl)naphthalene-2-sulfonamide

FI1, 6-chloro-N-((3S)-2-oxo-1-(2-oxo-2-((5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)ethyl)piperidin-3-yl)naphthalene-2-sulfonamide (C28 H29 Cl N4 O5 S, 569.1 g/mol), in the MolNFT structures on GenesisL1…

Component
FI1
Formula
C28 H29 Cl N4 O5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

FI1 in 2 structures; the first of them:

  • 3SW2 · X-ray crystal structure of human FXA in complex with… · FI1 B1 · binds LYS96, GLU97, THR98, TYR99, PHE174, ASP189, ALA190, CYS191 and 11 more
  • 3SW2 · X-ray crystal structure of human fxa in complex with 6-chloro-N-((3S)… · FI1 B1 · binds LYS96, GLU97, THR98, TYR99, PHE174, ASP189, ALA190, CYS191 and 11 more

Residues it binds most

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

Found with

  • CA · Calcium ion
  • NA · Sodium ion
  • GOL · Glycerol

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