PDB ligand accession: 1UP
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: ILLPJIZSGRJOPC-UHFFFAOYSA-N
SMILES: COc1ccc2ccc(cc2c1OCC(=O)N)C(=N)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Naphthalenes
- Subclass: None
- Class: Naphthalenes
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4FU7 | Download | Experimental | e4fu7A1 | cradle loop barrel | LigPlot |