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Ligand · 1UA

1UA · 2-[(4-methylbenzyl)sulfanyl]-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one

1UA, 2-[(4-methylbenzyl)sulfanyl]-3,5,6,7-tetrahydro-4H-cyclopenta[d]pyrimidin-4-one (C15 H16 N2 O S, 272.4 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
1UA
Formula
C15 H16 N2 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

1UA in 2 structures; the first of them:

  • 4L19 · Matrix metalloproteinase-13 complexed with selective inhibitor compound Q1 · 1UA A307 · binds LEU185, LEU218, VAL219, HIS222, GLU223, GLY237, ALA238, LEU239 and 10 more
  • 4L19 · Matrix metalloproteinase-13 complexed with selective inhibitor compound Q1 · 1UA A307 · binds LEU185, LEU218, VAL219, HIS222, GLU223, GLY237, ALA238, LEU239 and 10 more

Residues it binds most

LEU 4, PHE 6, PRO 6, TYR 6, HIS 6, THR 4, ALA 6, GLU 4, GLY 4, ILE 4 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • ZN · Zinc ion
  • FMT · Formic acid
  • GOL · Glycerol

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