PDB ligand accession: DM1
DrugBank: DB00694
PubChem:
ChEMBL:
InChI Key: STQGQHZAVUOBTE-VGBVRHCVSA-N
SMILES: CC1C(C(CC(O1)OC2CC(Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)N)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Phenylpropanoids and polyketides
- Class: Anthracyclines
- Subclass: None
- Class: Anthracyclines
- Superclass: Phenylpropanoids and polyketides
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4KR8 | Download | Experimental | e4kr8C1 | Outer membrane meander beta-barrels | LigPlot |