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Ligand · 77J

77J · N-hydroxy-3-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]propanamide

77J, N-hydroxy-3-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]propanamide (C13 H13 N3 O3 S, 291.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å…

Component
77J
Formula
C13 H13 N3 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

77J in 2 structures; the first of them:

  • 5FYB · Crystal structure of the catalytic domain of human JARID1B in complex with MC1648 · 77J A1760 · binds GLU31, CYS32, PRO33, VAL34, PHE35, ILE55, THR59, TYR569
  • 5FYB · Crystal structure of the catalytic domain of human JARID1B in complex with MC1648 · 77J A1760 · binds GLU31, CYS32, PRO33, VAL34, PHE35, ILE55, THR59, TYR569

Residues it binds most

TYR 4, ALA 2, ASN 2, GLU 4, HIS 2, PHE 4, SER 2, THR 4, VAL 4, CYS 2 (residue and the binding sites it lines).

Found with

  • MN · Manganese (II) ion
  • ZN · Zinc ion
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol

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