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Ligand · 3SR

3SR · 8-{[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione

3SR, 8-{[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione (C22 H30 N6 O4, 442.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
3SR
Formula
C22 H30 N6 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

3SR in 2 structures; the first of them:

  • 4WP7 · Structure of human ALDH1A1 with inhibitor CM026 · 3SR A602 · binds SER121, GLY125, LYS128, THR129, PHE171, VAL174, MET175, TRP178 and 12 more
  • 4WP7 · Structure of human ALDH1A1 with inhibitor CM026 · 3SR A602 · binds SER121, GLY125, LYS128, THR129, PHE171, VAL174, MET175, TRP178 and 12 more

Residues it binds most

GLY 2, CYS 2, PHE 2, SER 2, TYR 2, VAL 2, ALA 2, HIS 2, ILE 2, LYS 2 (residue and the binding sites it lines).

Found with

  • YB · Ytterbium (III) ion
  • CL · Chloride ion

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