Ligand name: CANALINE
PDB ligand accession: CAN
DrugBank: DB02821
PubChem: 441443;25246035;
ChEMBL: CHEMBL1231652
InChI Key: FQPGMQABJNQLLF-VKHMYHEASA-N
SMILES: C(CON)C(C(=O)O)N
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P04181

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2CAN	Download	Experimental	e2canB2 e2canA2 e2canC2	PLP-dependent transferases PLP-dependent transferases PLP-dependent transferases	LigPlot