PDB ligand accession: ZZL
DrugBank: DB13061
PubChem:
ChEMBL:
InChI Key: HHFBDROWDBDFBR-UHFFFAOYSA-N
SMILES: c1cc(c(c(c1)F)C2=NCc3cnc(nc3-c4c2cc(cc4)Cl)Nc5ccc(cc5)C(=O)O)F
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Benzazepines
- Subclass: None
- Class: Benzazepines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5IA1 | Download | Experimental | e5ia1A1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |