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Ligand · XRN

XRN · [4-(trifluoromethoxy)phenyl]methyl (3aR,6aS)-5-(4-sulfamoylpiperidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate

XRN, [4-(trifluoromethoxy)phenyl]methyl (3aR,6aS)-5-(4-sulfamoylpiperidine-1-carbonyl)hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate (C21 H27 F3 N4 O6 S, 520.5 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB…

Component
XRN
Formula
C21 H27 F3 N4 O6 S
Class
ligand
Structures
1
PDB entries
1

Binding sites

XRN in 1 structure; the first of them:

  • 7G32 · Crystal Structure of rat Autotaxin in complex with [4-(trifluoromethoxy)phenyl]methyl… · XRN A902 · binds ILE167, SER169, THR209, PHE210, LEU213, LEU216, ALA217, LEU243 and 8 more

Residues it binds most

LEU 1, PHE 1, ALA 1, ARG 1, ILE 1, LYS 1, MET 1, SER 1, THR 1, TRP 1 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • NA · Sodium ion
  • ZN · Zinc ion
  • BMA · beta-D-mannopyranose
  • MAN · alpha-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • CL · Chloride ion
  • ACT · Acetate ion

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