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Ligand · 3X7

3X7 · 3-[4-(piperidin-1-ylmethyl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile

3X7, 3-[4-(piperidin-1-ylmethyl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile (C23 H21 N5, 367.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5…

Component
3X7
Formula
C23 H21 N5
Class
ligand
Structures
2
PDB entries
1

Binding sites

3X7 in 2 structures; the first of them:

  • 4RVM · CHK1 kinase domain with diazacarbazole compound 19 · 3X7 A301 · binds GLN13, THR14, LEU15, VAL23, ALA36, LYS38, VAL68, LEU84 and 8 more
  • 4RVM · CHK1 kinase domain with diazacarbazole compound 19 · 3X7 A301 · binds GLN13, THR14, LEU15, VAL23, ALA36, LYS38, VAL68, LEU84 and 8 more

Residues it binds most

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

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