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Ligand · 1WI

1WI · 1-[[4-fluoranyl-3-(3-oxidanylidene-4-pentan-3-yl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione

1WI, 1-[[4-fluoranyl-3-(3-oxidanylidene-4-pentan-3-yl-piperazin-1-yl)carbonyl-phenyl]methyl]quinazoline-2,4-dione (C25 H27 F N4 O4, 466.5 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry). Every binding site…

Component
1WI
Formula
C25 H27 F N4 O4
Class
ligand
Structures
1
PDB entries
1

Binding sites

1WI in 1 structure; the first of them:

  • 8HE7 · ADP-ribosyltransferase 1 (PARP1) catalytic domain bound to a quinazoline-2,4(1H,3H)-dione… · 1WI A1101 · binds ASP766, LEU769, ASP770, TRP861, HIS862, GLY863, SER864, ASN868 and 16 more

Residues it binds most

ILE 2, TYR 2, GLY 2, ALA 2, ASP 2, LEU 2, SER 2, ARG 2, ASN 2, GLU 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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