GL1X · GenesisL1 explorer

Ligand · VKW

VKW · 8-chloranyl-2-[3-[4-(1,5-dimethylimidazol-2-yl) piperazin-1-yl]propyl]-3~{H}-quinazolin-4-one

VKW, 8-chloranyl-2-[3-[4-(1,5-dimethylimidazol-2-yl) piperazin-1-yl]propyl]-3~{H}-quinazolin-4-one (C20 H25 Cl N6 O, 400.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
VKW
Formula
C20 H25 Cl N6 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

VKW in 2 structures; the first of them:

  • 7ONR · PARP1 catalytic domain in complex with 8-chloroquinazoli -based inhibitor (compound 9) · VKW A1101 · binds ASP766, ASN767, LEU769, ASP770, TRP861, HIS862, GLY863, SER864 and 11 more
  • 7ONR · PARP1 catalytic domain in complex with 8-chloroquinazolinone-based inhibitor (compound 9) · VKW 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, GLU 4, GLY 4, HIS 4, ILE 4 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.