PDB ligand accession: 40X
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: TXWPKOAVOIYSHT-ZDUSSCGKSA-N
SMILES: CCCC1Cc2c(c3c(n2-c4cc(c(cc4O1)C(=O)N)Cl)CC(CC3=O)(C)C)C
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Benzoxazepines
- Subclass: None
- Class: Benzoxazepines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4XIR | Download | Experimental | e4xirA1 | ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase-like | LigPlot |