PDB ligand accession: BAO
DrugBank: DB01876
PubChem:
ChEMBL: n/a
InChI Key: VVVXDHROXQUONB-UHFFFAOYSA-N
SMILES: c1cc2c(cc1C(=N)N)[nH]c(n2)C(=O)c3[nH]c4cc(ccc4n3)C(=N)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Benzimidazoles
- Subclass: None
- Class: Benzimidazoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1XUH | Download | Experimental | e1xuhA1 | cradle loop barrel | LigPlot |
1XUI | Download | Experimental | e1xuiA1 | cradle loop barrel | LigPlot |