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Ligand · 4EE

4EE · 6-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

4EE, 6-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine (C19 H18 N4 O2 S, 366.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component
4EE
Formula
C19 H18 N4 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

4EE in 2 structures; the first of them:

  • 4YJ3 · Crystal structure of tubulin bound to compound 2 · 4EE B503 · binds THR179, ALA180, VAL181, VAL238, CYS241, LEU242, LEU248, ALA250 and 17 more
  • 4YJ3 · Crystal structure of tubulin bound to compound 2 · 4EE B503 · binds THR179, ALA180, VAL181, VAL238, CYS241, LEU242, LEU248, ALA250 and 17 more

Residues it binds most

ALA 4, VAL 4, LEU 4, THR 4, ASN 4, ILE 4, LYS 4, ASP 4, CYS 4, MET 4 (residue and the binding sites it lines).

Found with

  • GDP · Guanosine-5'-diphosphate
  • GTP · Guanosine-5'-triphosphate
  • CA · Calcium ion
  • MG · Magnesium ion
  • IMD · Imidazole
  • MES · 2-(N-morpholino)-ethanesulfonic acid

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