Ligand name: BENZYL [12-(2-AMINO-2-OXOETHYL)-4-NITRO-10,13-DIOXO-15-[(PROPYLAMINO)CARBONYL]-2-OXA-11,14-DIAZATRICYCLO[15 .2.2.1~3,7~]DOCOSA-1(19),3(22),4,6,17,20-HEXAEN-9-YL]CARBAMATE
PDB ligand accession: BIQ
DrugBank: n/a
PubChem: 10062700
ChEMBL: n/a
InChI Key: CJHDBEMQNLQIBH-GSDHBNRESA-N
SMILES: CCCNC(=O)C1Cc2ccc(cc2)Oc3cc(ccc3[N+](=O)[O-])CC(C(=O)NC(C(=O)N1)CC(=O)N)NC(=O)OCc4ccccc4
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 PDB structures and/or AlphaFold models with target protein P25451

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2GPL	Download	Experimental	e2gplH1 e2gplI1 e2gplV1 e2gplW1	Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C	LigPlot