PDB ligand accession: PK3
DrugBank: n/a
PubChem: 44199330;135566447;
ChEMBL: n/a
InChI Key: VKUWLKQBGXDONE-UHFFFAOYSA-N
SMILES: CNc1[nH]c2c(n1)cc3c(c2CCO)N=C(NC3=O)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Diazanaphthalenes
- Subclass: Benzodiazines
- Class: Diazanaphthalenes
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3EOU | Download | Experimental | e3eouA1 | TIM beta/alpha-barrel | LigPlot |