Ligand name: 4-OXO-2-PHENYLMETHANESULFONYL-OCTAHYDRO-PYRROLO[1,2-A]PYRAZINE-6-CARBOXYLIC ACID [1-(N-HYDROXYCARBAMIMIDOYL)-PIPERIDIN-4-YLMETHYL]-AMIDE
PDB ligand accession: BLI
DrugBank: DB02723
PubChem: 446573;5326608;5496635;
ChEMBL: CHEMBL18136
InChI Key: DHTSUHWLPAEEQB-OALUTQOASA-N
SMILES: c1ccc(cc1)CS(=O)(=O)N2CC3CCC(N3C(=O)C2)C(=O)NCC4CCN(CC4)C(=NO)N
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 P00734

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1JWT	Download	Experimental	e1jwtA1	cradle loop barrel	LigPlot