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
- Class: Tetrapyrroles and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
6RTD | Download | Experimental | e6rtdA1 e6rtdA2 e6rtdB1 e6rtdB2 | beta-propeller-like Cytochrome c-like beta-propeller-like Cytochrome c-like | LigPlot |