PDB ligand accession: SQO
DrugBank: n/a
PubChem: 49867679;135566930;
ChEMBL:
InChI Key: IQPSZZDLHUVVGO-UHFFFAOYSA-N
SMILES: c1c2c(cc3c1[nH]c(n3)NCCN4CCOCC4)N=CNC2=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 |
---|---|---|---|---|---|
4Q4R | Download | Experimental | e4q4rA1 | TIM beta/alpha-barrel | LigPlot |