PDB ligand accession: 1OK
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: ICZUITMFGXCICW-AREMUKBSSA-N
SMILES: CCOc1cc(ccc1OC(C)C)C(C(=O)NS(=O)(=O)c2ccccc2)Nc3ccc4c(c3)ccnc4N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Isoquinolines and derivatives
- Subclass: None
- Class: Isoquinolines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4JYU | Download | Experimental | e4jyuH1 | cradle loop barrel | LigPlot |