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Ligand · 3DW

3DW · 3-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carboxylic acid

3DW, 3-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carboxylic acid (C22 H21 N5 O2, 387.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
3DW
Formula
C22 H21 N5 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

3DW in 2 structures; the first of them:

  • 4QYG · CHK1 kinase domain in complex with diazacarbazole compound 14 · 3DW A301 · binds LEU15, VAL23, ALA36, LYS38, GLU55, VAL68, LEU84, GLU85 and 8 more
  • 4QYG · CHK1 kinase domain in complex with diazacarbazole compound 14 · 3DW A301 · binds LEU15, VAL23, ALA36, LYS38, GLU55, VAL68, LEU84, GLU85 and 8 more

Residues it binds most

GLU 4, LEU 4, ASP 4, VAL 4, ALA 4, CYS 4, GLY 4, LYS 4, SER 4, TYR 4 (residue and the binding sites it lines).

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