GL1X · GenesisL1 explorer

Ligand · O9W

O9W · (~{E})-3-[4-chloranyl-2-[(5-methyl-1,2,3,4-tetrazol-2-yl)methyl]phenyl]-1-[(2~{R})-4-[(4-fluorophenyl) methyl]-2-methyl-piperazin-1-yl]prop-2-en-1-one

O9W, (~{E})-3-[4-chloranyl-2-[(5-methyl-1,2,3,4-tetrazol-2-yl)methyl]phenyl]-1-[(2~{R})-4-[(4-fluorophenyl) methyl]-2-methyl-piperazin-1-yl]prop-2-en-1-one (C24 H26 Cl F N6 O, 469.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
O9W
Formula
C24 H26 Cl F N6 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

O9W in 2 structures; the first of them:

  • 6Y5M · Crystal structure of mouse Autotaxin in complex with compound 1a · O9W A913 · binds ILE167, SER169, THR209, PHE210, LEU213, TYR214, LEU216, ALA217 and 10 more
  • 6Y5M · Crystal structure of mouse autotaxin in complex with compound 1A · O9W A913 · binds SER169, PHE210, LEU213, TYR214, LEU216, ALA217, LYS248, PHE249 and 6 more

Residues it binds most

PHE 2, TRP 2, LEU 2, TYR 2, ALA 2, LYS 2, SER 2, ILE 1, THR 1 (residue and the binding sites it lines).

Found with

  • 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
  • PO4 · Phosphate ion

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