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Ligand · JL9

JL9 · 2-(4-((pyridin-4-yl)methyl)piperazin-1-yl)-3,4,5,6,7,8-hexahydroquinazolin-4-one

JL9, 2-(4-((pyridin-4-yl)methyl)piperazin-1-yl)-3,4,5,6,7,8-hexahydroquinazolin-4-one (C18 H23 N5 O, 325.4 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…

Component
JL9
Formula
C18 H23 N5 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

JL9 in 2 structures; the first of them:

  • 5AL5 · Crystal structure of TNKS2 in complex with 2-(4-((pyridin-4-yl)methyl)… · JL9 A2165 · binds PHE1030, HIS1031, GLY1032, SER1033, PRO1034, PHE1035, HIS1048, ALA1049 and 9 more
  • 5AL5 · Crystal structure of TNKS2 in complex with 2-(4-((pyridin-4… · JL9 A2165 · binds PHE1030, HIS1031, GLY1032, SER1033, PRO1034, PHE1035, HIS1048, ALA1049 and 9 more

Residues it binds most

PHE 4, TYR 4, ALA 4, HIS 4, SER 4, GLU 4, GLY 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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