Ligand name: 5-[[[(1R)-2-(tert-butylamino)-2-oxidanylidene-1-phenyl-ethyl]carbamoyl-methyl-amino]methyl]-1,3-benzodioxole-4-carboxylic acid
PDB ligand accession: S8Y
DrugBank: n/a
PubChem: 71819716
ChEMBL: n/a
InChI Key: MTAQSNRDDITUHH-GOSISDBHSA-N
SMILES: CC(C)(C)NC(=O)C(c1ccccc1)NC(=O)N(C)Cc2ccc3c(c2C(=O)O)OCO3
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 Q76353

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4CFD	Download	Experimental	e4cfdA1 e4cfdB1	Ribonuclease H-like Ribonuclease H-like	LigPlot