PDB ligand accession: IYZ
DrugBank: DB04715
PubChem:
ChEMBL:
InChI Key: IVUBNTNWKIPCPS-UHFFFAOYSA-N
SMILES: CC(=O)c1cccc(c1)c2cnc3n2nc(cc3)NCC4CC4
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic oxygen compounds
- Class: Organooxygen compounds
- Subclass: Carbonyl compounds
- Class: Organooxygen compounds
- Superclass: Organic oxygen compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2C3I | Download | Experimental | e2c3iB1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |