PDB ligand accession: RXD
DrugBank: DB08499
PubChem:
ChEMBL: n/a
InChI Key: DQXBKUVWJSZHSI-UHFFFAOYSA-N
SMILES: c1cc(cc(c1)OCCF)NC(=O)CCC(=O)Nc2ccc3c(c2)C(=O)C(=O)NC3=O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Isoquinolines and derivatives
- Subclass: 1,4-isoquinolinediones
- Class: Isoquinolines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3DEK | Download | Experimental | e3dekA1 e3dekC1 | Caspase-like Caspase-like | LigPlot |