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Ligand · VKT

VKT · 7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1~{H}-quinolin-2-one

VKT, 7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1~{H}-quinolin-2-one (C21 H27 N5 O, 365.5 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
VKT
Formula
C21 H27 N5 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

VKT in 2 structures; the first of them:

  • 7ONS · PARP1 catalytic domain in complex with isoquinolone-based inhibitor (compound 16) · VKT A1101 · binds ASP766, ASN767, LEU769, ASP770, TRP861, HIS862, GLY863, SER864 and 12 more
  • 7ONS · PARP1 catalytic domain in complex with isoquinolone-based inhibitor (compound 16) · VKT A1101 · binds ASP766, ASN767, LEU769, ASP770, HIS862, GLY863, ASN868, ARG878 and 8 more

Residues it binds most

ALA 4, ASN 4, ASP 4, TYR 4, SER 4, ARG 4, GLY 4, HIS 4, ILE 4, LEU 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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