PDB ligand accession: 9XF
DrugBank: n/a
PubChem: 139030452;145945973;
ChEMBL:
InChI Key: ZKLNPUKNSARQMG-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)cc(o2)c3c(nc(c(n3)C(=O)NC(=N)N)N)N
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 |
---|---|---|---|---|---|
6AG9 | Download | Experimental | e6ag9U1 | cradle loop barrel | LigPlot |