PDB ligand accession: JYE
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: MCUGUHUWEQYYKC-UHFFFAOYSA-N
SMILES: c1nc(c2c(n1)n(c(n2)Br)CCCN=[N+]=[N-])N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Imidazopyrimidines
- Subclass: Purines and purine derivatives
- Class: Imidazopyrimidines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
6RBV | Download | Experimental | e6rbvA1 e6rbvA2 | NAD kinase beta sandwich domain-like Flavodoxin-like | LigPlot |