Ligand name: (3R)-3-({(4-aminobenzyl)[(4-aminophenyl)acetyl]amino}methyl)-5-{[(4-bromobenzoyl)oxy]methyl}-2,3,4,7-tetrahydro-1H-azepinium
PDB ligand accession: NC8
DrugBank: n/a
PubChem: 137349793
ChEMBL: n/a
InChI Key: ILVATMQGTNYMLQ-XMMPIXPASA-O
SMILES: c1cc(ccc1CC(=O)N(Cc2ccc(cc2)N)CC3CC(=CC[NH2+]C3)COC(=O)c4ccc(cc4)Br)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Benzoic acids and derivatives

List of PDB structures and/or AlphaFold models with target protein P11838

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3T6I	Download	Experimental	e3t6iA2 e3t6iA3	cradle loop barrel cradle loop barrel	LigPlot