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Ligand · 4O3

4O3 · (11aS)-6-(4-fluorobenzyl)-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione

4O3, (11aS)-6-(4-fluorobenzyl)-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione (C20 H16 F N3 O2, 349.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
4O3
Formula
C20 H16 F N3 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

4O3 in 2 structures; the first of them:

  • 4ZGA · Structural basis for inhibition of human autotaxin by four novel compounds · 4O3 A910 · binds ILE168, SER170, PHE211, LEU214, TYR215, LEU217, ALA218, TRP255 and 6 more
  • 4ZGA · Structural basis for inhibition of human autotaxin by four novel compounds · 4O3 A910 · binds ILE168, SER170, PHE211, LEU214, TYR215, LEU217, ALA218, TRP255 and 6 more

Residues it binds most

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

Found with

  • ACD · Arachidonic acid
  • CA · Calcium ion
  • ZN · Zinc ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • SCN · Thiocyanate ion
  • EDO · 1,2-ethanediol

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