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Ligand · XLL

XLL · 4-tert-butyl-2-chloro-5-[(1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]benzonitrile

XLL, 4-tert-butyl-2-chloro-5-[(1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]benzonitrile (C18 H17 Cl N4 O, 340.8 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues within 4.5 Å…

Component
XLL
Formula
C18 H17 Cl N4 O
Class
ligand
Structures
1
PDB entries
1

Binding sites

XLL in 1 structure; the first of them:

  • 7G3D · Crystal Structure of rat Autotaxin in complex with… · XLL A901 · binds ILE167, SER169, THR209, PHE210, LEU213, TYR214, LEU216, ALA217 and 8 more

Residues it binds most

PHE 1, TRP 1, ALA 1, LEU 1, TYR 1, ILE 1, SER 1, THR 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
  • SO4 · Sulfate ion
  • ACT · Acetate ion

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