PDB ligand accession: ROI
DrugBank: DB02278
PubChem: 3340355;5289300;135403820;
ChEMBL: n/a
InChI Key: JMLQSLXEUWNWFI-UHFFFAOYSA-N
SMILES: CC1(C(=NC2=C(N1)N=C(NC2=O)N)O)C
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pteridines and derivatives
- Subclass: Pterins and derivatives
- Class: Pteridines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1CBK | Download | Experimental | e1cbkA1 e1cbkB1 | Alpha-beta plaits Alpha-beta plaits | LigPlot |