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Ligand · F25

F25 · 4-(1r,3as,4r,8as,8br)-[1-difluoromethyl-2-(4-fluorobenzyl)-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzamidine

F25, 4-(1r,3as,4r,8as,8br)-[1-difluoromethyl-2-(4-fluorobenzyl)-3-oxodecahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzamidine (C24 H27 F3 N4 O, 444.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
F25
Formula
C24 H27 F3 N4 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

F25 in 2 structures; the first of them:

  • 2CN0 · Complex of Recombinant Human Thrombin with a Designed Inhibitor · F25 H1246 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 10 more
  • 2CN0 · Complex of recombinant human thrombin with a designed inhibitor · F25 H1246 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 10 more

Residues it binds most

GLY 2, GLU 2, SER 2, TRP 2, ALA 2, ASN 2, ASP 2, CYS 2, HIS 2, ILE 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • NA · Sodium ion
  • SIN · Succinic acid

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