PDB ligand accession: 79O
DrugBank: n/a
PubChem: 44229511;135566645;
ChEMBL:
InChI Key: UGRPNQCFWPYERM-UHFFFAOYSA-N
SMILES: c1ccc(c(c1)C2=Nc3c4cc(ccc4oc3C(=O)N2)Br)Cl
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Benzofurans
- Subclass: None
- Class: Benzofurans
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4ALU | Download | Experimental | e4aluA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |