PDB ligand accession: CKR
DrugBank: DB07564
PubChem: 23643565;135566918;
ChEMBL:
InChI Key: JUHXOBNFTFUPKQ-UHFFFAOYSA-N
SMILES: c1c2c(cc3c1nc([nH]3)NCCN4CCOCC4)N=C(NC2=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 |
---|---|---|---|---|---|
4PUJ | Download | Experimental | e4pujA1 | TIM beta/alpha-barrel | LigPlot |
4Q8O | Download | Experimental | e4q8oA1 | TIM beta/alpha-barrel | LigPlot |
4Q8Q | Download | Experimental | e4q8qA1 | TIM beta/alpha-barrel | LigPlot |
4Q8P | Download | Experimental | e4q8pA1 | TIM beta/alpha-barrel | LigPlot |