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Ligand · 7DZ

7DZ · (7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one

7DZ, (7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one (C19 H23 F2 N5 O2, 391.4 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3 PDB entries). Every binding site…

Component
7DZ
Formula
C19 H23 F2 N5 O2
Class
ligand
Structures
3
PDB entries
3

Binding sites

7DZ in 3 structures; the first of them:

  • 5UT1 · JAK2 JH2 in complex with bi-D1870 · 7DZ A905 · binds LEU551, LEU579, LYS581, VAL610, GLN626, GLU627, PHE628, VAL629 and 5 more
  • 5UU1 · Crystal structure of human vaccinia-related kinase 2 (vrk-2) bound to bi-D1870 · 7DZ A401 · binds ILE35, GLY38, ILE43, VAL59, LYS61, GLU73, TYR77, PRO101 and 9 more
  • 5UVF · Crystal structure of the human vaccinia-related kinase bound to bi- D1870 · 7DZ A401 · binds ILE43, ILE51, VAL69, GLU83, TYR87, PRO111, MET131, ASP132 and 4 more

Residues it binds most

VAL 6, ILE 5, LEU 6, LYS 5, ASP 4, GLU 5, GLY 5, ARG 5, MET 5, PHE 5 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • PO4 · Phosphate ion
  • GOL · Glycerol
  • PEG · Di(hydroxyethyl)ether

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