Ligand name: 2-AMINO-4-[1-(CARBOXYMETHYL-CARBAMOYL)-2-(9-HYDROXY-7,8-DIOXO-7,8,9,10-TETRAHYDRO-BENZO[DEF]CHRYSEN-10-YLSULFANYL)-ETHYLCARBAMOYL]-BUTYRIC ACID
PDB ligand accession: GBX
DrugBank: n/a
PubChem: 5288368
ChEMBL: n/a
InChI Key: DUWOHLGCRJLRRU-HVYZTVOGSA-N
SMILES: c1cc2ccc3cc4c(c5c3c2c(c1)cc5)C(C(C(=O)C4=O)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)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 PDB structures and/or AlphaFold models with target protein P09211

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4PGT	Download	Experimental	e4pgtA2 e4pgtA1 e4pgtB1 e4pgtB2 e4pgtA1 e4pgtB1	Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins	LigPlot
3PGT	Download	Experimental	e3pgtA2 e3pgtA1 e3pgtB1 e3pgtB2 e3pgtA1 e3pgtB1	Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Repetitive alpha hairpins	LigPlot