Ligand name: KIRROMYCIN
PDB ligand accession: KIR
DrugBank: n/a
PubChem: 6323389;135484176;
ChEMBL: CHEMBL5483019
InChI Key: HMSYAPGFKGSXAJ-PAHGNTJYSA-N
SMILES: CCC(C(=O)NCC=CC=C(C)C(C(C)C1C(C(C(O1)C=CC=CC=C(C)C(=O)C2=C(C=CNC2=O)O)O)O)OC)C3(C(C(C(C(O3)C=CC=CC)(C)C)O)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic oxygen compounds
    • Class: Organooxygen compounds
      • Subclass: Carbohydrates and carbohydrate conjugates

List of PDB structures and/or AlphaFold models with target protein P0CE48

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5AFI	Download	Experimental	e5afiz1 e5afiz3	P-loop domains-like cradle loop barrel	LigPlot
1OB2	Download	Experimental	e1ob2A3 e1ob2A2	P-loop domains-like cradle loop barrel	LigPlot
7ABZ	Download	Experimental	e7abz61 e7abz62	P-loop domains-like cradle loop barrel	LigPlot