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Ligand · FDR

FDR · 2-methyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2, 3-d]pyrimidin-4-one

FDR, 2-methyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2, 3-d]pyrimidin-4-one (C10 H10 N2 O S, 206.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
FDR
Formula
C10 H10 N2 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

FDR in 2 structures; the first of them:

  • 6WE4 · Human PARP14 (ARTD8), catalytic fragment in complex with compound 2 · FDR A1901 · binds PHE1681, HIS1682, GLY1683, TYR1701, GLY1703, ALA1706, TYR1714, ALA1716 and 4 more
  • 6WE4 · Human PARP14 (ARTD8), catalytic fragment in complex with compound 2 · FDR A1901 · binds HIS1682, GLY1683, TYR1701, GLY1703, ALA1706, TYR1714, ALA1716, TYR1721 and 3 more

Residues it binds most

TYR 2, ALA 2, GLY 2, HIS 2, LEU 2, SER 2, PHE 1 (residue and the binding sites it lines).

Found with

  • TYG · 8-methyl-2-{[(pyridin-4-yl)sulfanyl]methyl}quinazolin-4(3H)-one
  • EDO · 1,2-ethanediol
  • GOL · Glycerol

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