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Ligand · QDR

QDR · 2-{[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}-8-methylquinazolin-4(3H)-one

QDR, 2-{[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}-8-methylquinazolin-4(3H)-one (C12 H12 N6 O S, 288.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5…

Component
QDR
Formula
C12 H12 N6 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

QDR in 2 structures; the first of them:

  • 3SMI · Human poly(ADP-ribose) polymerase 14 (Parp14/Artd8) - catalytic domain in complex with a… · QDR A1 · binds PHE1600, HIS1601, GLY1602, THR1603, ASP1604, SER1607, TYR1620, TYR1633 and 3 more
  • 3SMI · Human POLY(ADP-ribose) polymerase 14 (PARP14/ARTD8) - catalytic domain in complex with a… · QDR A1 · binds PHE1600, HIS1601, GLY1602, THR1603, ASP1604, SER1607, TYR1620, TYR1633 and 3 more

Residues it binds most

TYR 4, SER 4, THR 4, ASP 4, GLY 4, HIS 4, PHE 4 (residue and the binding sites it lines).

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