PDB ligand accession: A45
DrugBank: DB01906
PubChem: 448406;5287581;135460974;
ChEMBL:
InChI Key: KNLLRZNGRRRPEW-UHFFFAOYSA-N
SMILES: c1cc(cc(c1)n2nc3c(n2)nc(nc3O)N)C(=O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Azoles
- Subclass: Triazoles
- Class: Azoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1RRI | Download | Experimental | e1rriA1 | T-fold | LigPlot |