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Ligand · 3ST

3ST · 1-{[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperidine-4-carboxamide

3ST, 1-{[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperidine-4-carboxamide (C19 H30 N6 O3, 390.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
3ST
Formula
C19 H30 N6 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

3ST in 2 structures; the first of them:

  • 4WPN · Structure of human ALDH1A1 with inhibitor CM053 · 3ST A601 · binds ASN121, GLY125, THR129, PHE171, VAL174, MET175, TRP178, HIS293 and 9 more
  • 4WPN · Structure of human ALDH1A1 with inhibitor CM053 · 3ST A601 · binds ASN121, GLY125, THR129, PHE171, VAL174, MET175, TRP178, HIS293 and 9 more

Residues it binds most

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

Found with

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

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