Ligand name: 3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-1H-PYRROL-3-YL]PROPANOIC ACID
PDB ligand accession: PBG
DrugBank: DB02272
PubChem: 1021
ChEMBL: CHEMBL1235151
InChI Key: QSHWIQZFGQKFMA-UHFFFAOYSA-N
SMILES: c1c(c(c([nH]1)CN)CC(=O)O)CCC(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic nitrogen compounds
    • Class: Organonitrogen compounds
      • Subclass: Amines

List of PDB structures and/or AlphaFold models with target protein B6KNM2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3OBK	Download	Experimental	e3obkA1 e3obkB1 e3obkC1 e3obkD1 e3obkE1 e3obkF1 e3obkG1 e3obkH1	TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot