GL1X · GenesisL1 explorer

Ligand · XET

XET · [6-(methanesulfonyl)-1,6-diazaspiro[3.3]heptan-1-yl][2-({[3-(propan-2-yl)-5-(trifluoromethoxy)phenyl]methyl}amino)pyrimidin-5-yl]methanone

XET, [6-(methanesulfonyl)-1,6-diazaspiro[3.3]heptan-1-yl][2-({[3-(propan-2-yl)-5-(trifluoromethoxy)phenyl]methyl}amino)pyrimidin-5-yl]methanone (C22 H26 F3 N5 O4 S, 513.5 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1…

Component
XET
Formula
C22 H26 F3 N5 O4 S
Class
ligand
Structures
1
PDB entries
1

Binding sites

XET in 1 structure; the first of them:

  • 7G3I · Crystal Structure of rat Autotaxin in complex with… · XET A901 · binds ILE167, SER169, THR209, PHE210, LEU213, TYR214, LEU216, ALA217 and 12 more

Residues it binds most

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

Found with

  • CA · Calcium ion
  • K · Potassium 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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