PDB ligand accession: A2C
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: YUJGWDWOHQDFJV-UHFFFAOYSA-N
SMILES: c1cc(c(cc1C(=N)N)C=NCCN=Cc2cc(ccc2O)C(=N)N)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Phenols
- Subclass: 1-hydroxy-2-unsubstituted benzenoids
- Class: Phenols
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3AAV | Download | Experimental | e3aavA1 e3aavB1 | cradle loop barrel cradle loop barrel | LigPlot |