PDB ligand accession: 2YO
DrugBank: n/a
PubChem: 75277396;135566928;
ChEMBL:
InChI Key: NFLZHTAOFKJMSG-UHFFFAOYSA-N
SMILES: c1c2c(cc3c1nc([nH]3)NCCN4CCCCC4)NC=NC2=O
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 |
---|---|---|---|---|---|
4Q4P | Download | Experimental | e4q4pA1 | TIM beta/alpha-barrel | LigPlot |