PDB ligand accession: V1Y
DrugBank: DB17568
PubChem:
ChEMBL:
InChI Key: KVCQTKNUUQOELD-UHFFFAOYSA-N
SMILES: Cc1ccc2c(c1NC(=O)c3csc4c3ncnc4N)ccnc2Nc5cccc(c5F)Cl
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 |
---|---|---|---|---|---|
6XFP | Download | Experimental | e6xfpA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |