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Ligand · 7IA

7IA · [(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetic acid

7IA, [(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetic acid (C12 H10 N2 O3 S, 262.3 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it…

Component
7IA
Formula
C12 H10 N2 O3 S
Class
ligand
Structures
1
PDB entries
1

Binding sites

7IA in 1 structure; the first of them:

  • 5FZG · Crystal structure of the catalytic domain of human JARID1B in complex with MC3948 · 7IA A1770 · binds ARG86, ARG98, TYR425, ALA427, TYR488, SER494, PHE496, HIS499 and 6 more

Residues it binds most

TYR 2, ARG 1, ASN 1, GLU 2, HIS 1, PHE 2, ALA 1, CYS 1, ILE 1, LYS 1 (residue and the binding sites it lines).

Found with

  • MN · Manganese (II) ion
  • ZN · Zinc ion
  • CL · Chloride ion
  • PO4 · Phosphate ion
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid

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