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Ligand · JHW

JHW · 8-cyclopropyl-2-pyridin-3-yl-[1,3]thiazolo[5,4-f]quinazolin-9-one

JHW, 8-cyclopropyl-2-pyridin-3-yl-[1,3]thiazolo[5,4-f]quinazolin-9-one (C17 H12 N4 O S, 320.4 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, the residues…

Component
JHW
Formula
C17 H12 N4 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

JHW in 2 structures; the first of them:

  • 6QU2 · Crystal structure of DYRK1A complexed with FC162 inhibitor · JHW A506 · binds ILE165, PHE170, VAL173, ALA186, LYS188, VAL222, PHE238, GLU239 and 8 more
  • 6QU2 · Crystal structure of DYRK1A complexed with FC162 inhibitor · JHW A506 · binds ILE165, PHE170, ALA186, LYS188, VAL222, PHE238, GLU239, MET240 and 6 more

Residues it binds most

VAL 8, LEU 8, PHE 8, GLU 8, ALA 8, ASP 8, ILE 8, LYS 8, MET 8, SER 8 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid
  • PG4 · Tetraethylene glycol

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