PDB ligand accession: 8UP
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: IQSSJVGPYCFBSQ-UHFFFAOYSA-N
SMILES: COc1ccc2ccc(cc2c1OCCCBr)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 |
---|---|---|---|---|---|
4FUF | Download | Experimental | e4fufA2 | cradle loop barrel | LigPlot |