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Ligand · JND

JND · 6-ethylthieno[2,3-d]pyrimidin-4(3H)-one

JND, 6-ethylthieno[2,3-d]pyrimidin-4(3H)-one (C8 H8 N2 O S, 180.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
JND
Formula
C8 H8 N2 O S
Class
ligand
Structures
2
PDB entries
2

Binding sites

JND in 2 structures; the first of them:

  • 5QFB · Pandda analysis group deposition -- crystal structure of PTP1B in complex with… · JND A401 · binds PHE196, PHE280
  • 5R8W · Pandda analysis group deposition FORM1 MAP kinase P38-alpha -- fragment K00283C in… · JND A401 · binds GLU192, MET198, LEU246, LYS249, ILE250, LEU291, ASP292, SER293

Residues it binds most

LEU 1, PHE 1, ASP 1, GLU 1, ILE 1, LYS 1, MET 1, SER 1 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • CL · Chloride ion
  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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