Ligand name: HEME D
PDB ligand accession: DHE
DrugBank: DB03469
PubChem: 5288056;50921538;171904459;
ChEMBL: n/a
InChI Key: XLQCGNUTSJTZNF-YDXXJHAFSA-L
SMILES: Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=CC6=[N]7[Fe]3(N45)[N]8=C(C=C7C(C6=O)(C)CC(=O)O)C(=O)C(C8=C2)(C)CC(=O)O)C)CCC(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Tetrapyrroles and derivatives
      • Subclass: Metallotetrapyrroles

List of PDB structures and/or AlphaFold models with target protein P72181

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1AOM	Download	Experimental	e1aomA1 e1aomB1 e1aomB2	beta-propeller-like beta-propeller-like Cytochrome c-like	LigPlot
1QKS	Download	Experimental	e1qksA1 e1qksA2 e1qksB1 e1qksB2	beta-propeller-like Cytochrome c-like beta-propeller-like Cytochrome c-like	LigPlot
1HJ3	Download	Experimental	e1hj3A1 e1hj3A2 e1hj3B3 e1hj3B4	beta-propeller-like Cytochrome c-like beta-propeller-like Cytochrome c-like	LigPlot
1HJ4	Download	Experimental	e1hj4A1 e1hj4A2 e1hj4B3 e1hj4B4	beta-propeller-like Cytochrome c-like beta-propeller-like Cytochrome c-like	LigPlot
1AOF	Download	Experimental	e1aofA3 e1aofB3 e1aofB4	beta-propeller-like beta-propeller-like Cytochrome c-like	LigPlot
1DY7	Download	Experimental	e1dy7A1 e1dy7B3	beta-propeller-like beta-propeller-like	LigPlot
1AOQ	Download	Experimental	e1aoqA1 e1aoqA2 e1aoqB1 e1aoqB2	beta-propeller-like Cytochrome c-like beta-propeller-like Cytochrome c-like	LigPlot
1E2R	Download	Experimental	e1e2rA3 e1e2rB1 e1e2rB2	beta-propeller-like beta-propeller-like Cytochrome c-like	LigPlot
1HJ5	Download	Experimental	e1hj5A1 e1hj5A2 e1hj5B1 e1hj5B2	beta-propeller-like Cytochrome c-like beta-propeller-like Cytochrome c-like	LigPlot