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Ligand · 3XK

3XK · N-[3-(6-cyano-9H-pyrrolo[2,3-b:5,4-c']dipyridin-3-yl)phenyl]acetamide

3XK, N-[3-(6-cyano-9H-pyrrolo[2,3-b:5,4-c']dipyridin-3-yl)phenyl]acetamide (C19 H13 N5 O, 327.3 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…

Component
3XK
Formula
C19 H13 N5 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

3XK in 2 structures; the first of them:

  • 4RVK · CHK1 kinase domain with diazacarbazole compound 8… · 3XK A301 · binds GLN13, LEU15, VAL23, ALA36, LYS38, VAL68, LEU84, GLU85 and 8 more
  • 4RVK · CHK1 kinase domain with diazacarbazole compound 8: N-[3-(6-cyano-9H… · 3XK A301 · binds GLN13, LEU15, VAL23, ALA36, LYS38, VAL68, LEU84, GLU85 and 8 more

Residues it binds most

LEU 2, GLU 2, SER 2, VAL 2, ALA 2, ASP 2, CYS 2, GLN 2, GLY 2, LYS 2 (residue and the binding sites it lines).

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