Ligand name: 3-(2-AMINOETHYL)-4-(AMINOMETHYL)HEPTANEDIOIC ACID
PDB ligand accession: PB1
DrugBank: DB02878
PubChem: 5289108
ChEMBL: n/a
InChI Key: QMRGRIXXWLVLTR-HTQZYQBOSA-N
SMILES: C(CC(=O)O)C(CN)C(CCN)CC(=O)O
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 P13716

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1PV8	Download	Experimental	e1pv8A1	TIM beta/alpha-barrel	LigPlot