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Ligand · XRM

XRM · 7-(cyclopentylamino)-5-fluoro-2-{[(piperidin-4-yl) sulfanyl]methyl}quinazolin-4(3H)-one

XRM, 7-(cyclopentylamino)-5-fluoro-2-{[(piperidin-4-yl) sulfanyl]methyl}quinazolin-4(3H)-one (C19 H25 F N4 O S, 376.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
XRM
Formula
C19 H25 F N4 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

XRM in 2 structures; the first of them:

  • 7L9Y · Human PARP14 (ARTD8), catalytic fragment in complex with RBN012042 · XRM A1901 · binds PHE1681, HIS1682, GLY1683, THR1684, ASP1685, SER1688, TYR1701, LYS1704 and 12 more
  • 7L9Y · Human PARP14 (ARTD8), catalytic fragment in complex with RBN012042 · XRM A1901 · binds PHE1681, HIS1682, GLY1683, THR1684, ASP1685, SER1688, TYR1701, ASN1705 and 9 more

Residues it binds most

TYR 8, ALA 8, SER 8, THR 8, HIS 8, ASN 8, ASP 8, GLY 8, LEU 7, PHE 6 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion
  • EDO · 1,2-ethanediol

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