Ligand name: METHYL 4-{[({[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE
PDB ligand accession: AAF
DrugBank: DB07328
PubChem: 11840913
ChEMBL: CHEMBL1230763
InChI Key: USDCNOQKDUFKRD-IKGGRYGDSA-N
SMILES: COC(=O)c1ccc(cc1)NC(=O)NCC2CCC(N2)C(=O)N3CCCC3CN
Drug action: n/a

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 P27487

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2G63	Download	Experimental	e2g63B2 e2g63B1	alpha/beta-Hydrolases beta-propeller-like	LigPlot