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Ligand · GRY

GRY · ~{N}1-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine

GRY, ~{N}1-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine (C12 H14 N4, 214.3 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component
GRY
Formula
C12 H14 N4
Class
ligand
Structures
3
PDB entries
2

Binding sites

GRY in 3 structures; the first of them:

  • 5QEG · PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with… · GRY A401 · binds PRO89, VAL92, GLU132, MET133, ILE134, PHE135
  • 5QEG · Pandda analysis group deposition -- crystal structure of PTP1B in complex with… · GRY A401 · binds PRO89, GLU132, MET133, ILE134, PHE135
  • 5QHX · Pandda analysis group deposition of models with modelled events (E.G. bound ligands)… · GRY A1404 · binds ASP1235, GLY1257, VAL1258, LYS1260, ALA1261, GLU1264, PHE1371

Residues it binds most

GLU 5, MET 4, PRO 4, LYS 3, PHE 3, GLN 2, ILE 2, TRP 2, VAL 2, ALA 1 (residue and the binding sites it lines).

Found with

  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol
  • CL · Chloride ion
  • DMS · Dimethyl sulfoxide

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