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Ligand · YH3

YH3 · 2-amino-8-{[2-(3-methylphenyl)-2-oxoethyl]sulfanyl}-1,9-dihydro-6H-purin-6-one

YH3, 2-amino-8-{[2-(3-methylphenyl)-2-oxoethyl]sulfanyl}-1,9-dihydro-6H-purin-6-one (C14 H13 N5 O2 S, 315.4 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
YH3
Formula
C14 H13 N5 O2 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

YH3 in 2 structures; the first of them:

  • 4M5K · The Identification, Analysis and Structure-Based Development of Novel Inhibitors of… · YH3 A305 · binds GLY8, THR42, PRO43, PRO44, LEU45, GLY46, TYR53, ASN55 and 5 more
  • 4M5K · The identification, analysis and structure-based development of novel inhibitors of… · YH3 A305 · binds GLY8, THR42, PRO43, PRO44, LEU45, GLY46, TYR53, ASN55 and 5 more

Residues it binds most

ASN 2, GLY 2, PRO 2, ARG 2, ASP 2, LEU 2, PHE 2, THR 2, TRP 2, TYR 2 (residue and the binding sites it lines).

Found with

  • APC · Diphosphomethylphosphonic acid adenosyl ester
  • CA · Calcium ion
  • GOL · Glycerol

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