PDB ligand accession: XU1
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: YLSBDRGLLZDAKB-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)-c3cccnc3NC2=O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Isoquinolines and derivatives
- Subclass: Isoquinolones and derivatives
- Class: Isoquinolines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4JAJ | Download | Experimental | e4jajA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |