PDB ligand accession: 1LD
DrugBank: DB01099
PubChem: 3366;5282376;
ChEMBL:
InChI Key: XRECTZIEBJDKEO-UHFFFAOYSA-N
SMILES: C1=C(C(=NC(=O)N1)N)F
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Diazines
- Subclass: Pyrimidines and pyrimidine derivatives
- Class: Diazines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4R88 | Download | Experimental | e4r88A1 e4r88B1 e4r88C1 e4r88D2 e4r88E1 e4r88F1 | TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |