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Ligand · WLH

WLH · 2-(4-methylpiperazin-1-yl)-3,4,5,6,7,8-hexahydroquinazolin-4-one

WLH, 2-(4-methylpiperazin-1-yl)-3,4,5,6,7,8-hexahydroquinazolin-4-one (C13 H20 N4 O, 248.3 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 residues it…

Component
WLH
Formula
C13 H20 N4 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

WLH in 2 structures; the first of them:

  • 5AL4 · Crystal structure of TNKS2 in complex with 2-(4-methylpiperazin-1-yl)… · WLH A2165 · binds PHE1030, HIS1031, GLY1032, SER1033, PRO1034, PHE1035, TYR1050, TYR1060 and 7 more
  • 5AL4 · Crystal structure of TNKS2 in complex with 2-(4… · WLH A2165 · binds PHE1030, HIS1031, GLY1032, SER1033, PRO1034, PHE1035, TYR1050, TYR1060 and 7 more

Residues it binds most

PHE 4, TYR 4, SER 4, ALA 4, GLU 4, GLY 4, HIS 4, ILE 4, LYS 4, PRO 4 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • SO4 · Sulfate ion
  • GOL · Glycerol

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