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Ligand · 5GL

5GL · 4-propan-2-ylsulfanyl-1-propyl-6,7-dihydro-5~{H}-cyclopenta[d]pyrimidin-2-one

5GL, 4-propan-2-ylsulfanyl-1-propyl-6,7-dihydro-5~{H}-cyclopenta[d]pyrimidin-2-one (C13 H20 N2 O S, 252.4 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…

Component
5GL
Formula
C13 H20 N2 O S
Class
ligand
Structures
3
PDB entries
2

Binding sites

5GL in 3 structures; the first of them:

  • 5DR3 · Endothiapepsin in complex with fragment 333 · 5GL A408 · binds ASP15, PHE280, PHE291
  • 5MB3 · Fragment 333 at a concentration of 50mM in complex with Endothiapepsin · 5GL A335 · binds ASP15, GLY249, GLY250, PHE280, PHE291, GLN295
  • 5MB3 · Fragment 333 at a concentration of 50MM in complex with endothiapepsin · 5GL A335 · binds ASP15, GLY249, GLY250, PHE280, PHE291, GLN295

Residues it binds most

PHE 3, GLY 2, ASP 3, GLN 2 (residue and the binding sites it lines).

Found with

  • ACT · Acetate ion
  • GOL · Glycerol
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol

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