Ligand name: {1-[(3-HYDROXY-METHYL-5-PHOSPHONOOXY-METHYL-PYRIDIN-4-YLMETHYL)-AMINO]-ETHYL}-PHOSPHONIC ACID
PDB ligand accession: IN5
DrugBank: DB03327
PubChem: 444528
ChEMBL: n/a
InChI Key: WHDCJKAOZPBUAY-SSDOTTSWSA-N
SMILES: Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)P(=O)(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 P0A6B4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4XBJ	Download	Experimental	e4xbjA1 e4xbjA2 e4xbjB1 e4xbjA1 e4xbjA2 e4xbjB1 e4xbjB2 e4xbjC1 e4xbjC2 e4xbjD1	cradle loop barrel TIM beta/alpha-barrel cradle loop barrel cradle loop barrel TIM beta/alpha-barrel cradle loop barrel TIM beta/alpha-barrel TIM beta/alpha-barrel cradle loop barrel cradle loop barrel	LigPlot