PDB ligand accession: 5BN
DrugBank: DB07163
PubChem:
ChEMBL:
InChI Key: CQCXWWWNUFQYJS-UHFFFAOYSA-N
SMILES: c1cc([nH]c1)c2cc(c3c(ccc4c3c2C(=O)N4)F)NCCN
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Isoindoles and derivatives
- Subclass: Isoindolines
- Class: Isoindoles and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1P2A | Download | Experimental | e1p2aA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |