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 Q5SHN6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4V8Q	Download	Experimental	e4v8qBZ1 e4v8qBZ2	P-loop domains-like cradle loop barrel	LigPlot
4V5S	Download	Experimental	e4v5sAZ2 e4v5sAZ3 e4v5sCZ2 e4v5sCZ3	cradle loop barrel P-loop domains-like cradle loop barrel P-loop domains-like	LigPlot
4V5Q	Download	Experimental	e4v5qAZ2 e4v5qAZ3 e4v5qCZ2 e4v5qCZ3	cradle loop barrel P-loop domains-like cradle loop barrel P-loop domains-like	LigPlot
4V5P	Download	Experimental	e4v5pAZ1 e4v5pAZ3 e4v5pCZ1 e4v5pCZ3	P-loop domains-like cradle loop barrel P-loop domains-like cradle loop barrel	LigPlot
4V5G	Download	Experimental	e4v5gAZ1 e4v5gAZ3 e4v5gCZ1 e4v5gCZ3	P-loop domains-like cradle loop barrel P-loop domains-like cradle loop barrel	LigPlot
4V5R	Download	Experimental	e4v5rAZ2 e4v5rAZ3 e4v5rCZ2 e4v5rCZ3	cradle loop barrel P-loop domains-like cradle loop barrel P-loop domains-like	LigPlot