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Ligand · VKQ

VKQ · 5-[4-[(3-ethyl-2-oxidanylidene-1~{H}-quinolin-7-yl) methyl]piperazin-1-yl]-~{N}-methyl-pyridine-2-carboxamide

VKQ, 5-[4-[(3-ethyl-2-oxidanylidene-1~{H}-quinolin-7-yl) methyl]piperazin-1-yl]-~{N}-methyl-pyridine-2-carboxamide (C23 H27 N5 O2, 405.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
VKQ
Formula
C23 H27 N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

VKQ in 2 structures; the first of them:

  • 7ONT · PARP1 catalytic domain in complex with a selective pyridine carboxamide-based inhibitor… · VKQ A1101 · binds ASP766, ASN767, LEU769, ASP770, TRP861, HIS862, GLY863, SER864 and 12 more
  • 7ONT · PARP1 catalytic domain in complex with a selective pyridine carboxamide-based inhibitor… · VKQ A1101 · binds ASP766, ASN767, LEU769, ASP770, TRP861, HIS862, GLY863, SER864 and 12 more

Residues it binds most

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

Found with

  • SO4 · Sulfate ion

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