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Ligand · 4HW

4HW · N~3~-phenyl-1-[6-(phenylamino)pyrimidin-4-yl]-1H-1,2,4-triazole-3,5-diamine

4HW, N~3~-phenyl-1-[6-(phenylamino)pyrimidin-4-yl]-1H-1,2,4-triazole-3,5-diamine (C18 H16 N8, 344.4 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…

Component
4HW
Formula
C18 H16 N8
Class
ligand
Structures
2
PDB entries
1

Binding sites

4HW in 2 structures; the first of them:

  • 4YTC · Discovery of VX-509 (Decernotinib): A Potent and Selective Janus kinase (JAK) 3 Inhibitor… · 4HW A4000 · binds LEU855, GLY856, VAL863, ALA880, VAL911, MET929, GLU930, TYR931 and 8 more
  • 4YTC · Discovery of vx-509 (decernotinib): a potent and selective janus kinase (JAK) 3 inhibitor… · 4HW A4000 · binds LEU855, GLY856, VAL863, ALA880, VAL911, MET929, GLU930, TYR931 and 8 more

Residues it binds most

LEU 2, GLY 2, VAL 2, ALA 2, ARG 2, ASN 2, ASP 2, GLU 2, MET 2, PRO 2 (residue and the binding sites it lines).

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