Ligand name: (4-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE
PDB ligand accession: PL2
DrugBank: n/a
PubChem: 16040267
ChEMBL: n/a
InChI Key: SIKJBFNFPRPKQR-UHFFFAOYSA-N
SMILES: [H]N=C(N)NCCCCNCc1c(cnc(c1O)C)COP(=O)(O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyridines and derivatives
      • Subclass: Pyridoxamines

List of PDB structures and/or AlphaFold models with target protein Q84527

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2NVA	Download	Experimental	e2nvaA1 e2nvaA2 e2nvaB1 e2nvaA1 e2nvaA2 e2nvaB1 e2nvaB2 e2nvaC1 e2nvaC2 e2nvaD1 e2nvaC1 e2nvaD1 e2nvaD2 e2nvaE1 e2nvaE2 e2nvaF1 e2nvaE1 e2nvaE2 e2nvaF1 e2nvaF2 e2nvaG1 e2nvaG2 e2nvaH1 e2nvaG1 e2nvaG2 e2nvaH1 e2nvaH2	cradle loop barrel TIM beta/alpha-barrel cradle loop barrel cradle loop barrel TIM beta/alpha-barrel cradle loop barrel TIM beta/alpha-barrel cradle loop barrel TIM beta/alpha-barrel cradle loop barrel cradle loop barrel cradle loop barrel TIM beta/alpha-barrel cradle loop barrel TIM beta/alpha-barrel cradle loop barrel cradle loop barrel TIM beta/alpha-barrel cradle loop barrel TIM beta/alpha-barrel cradle loop barrel TIM beta/alpha-barrel cradle loop barrel cradle loop barrel TIM beta/alpha-barrel cradle loop barrel TIM beta/alpha-barrel	LigPlot