Ligand · 3DX

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

3DX, 3-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carbonitrile (C22 H20 N6, 368.4 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: 3DX
Formula: C22 H20 N6
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

3DX in 2 structures; the first of them:

4QYH · CHK1 kinase domain in complex with diazacarbazole GNE-783 · 3DX A301 · binds LEU15, VAL23, ALA36, LYS38, VAL68, LEU84, GLU85, TYR86 and 7 more
4QYH · CHK1 kinase domain in complex with diazacarbazole gne-783 · 3DX A301 · binds LEU15, VAL23, ALA36, LYS38, VAL68, LEU84, GLU85, TYR86 and 7 more

Residues it binds most

LEU 4, ASP 4, GLU 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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