PDB ligand accession: AEK
DrugBank: n/a
PubChem: 57339125;135566577;
ChEMBL: n/a
InChI Key: IEHXPXUWCFKZTR-UHFFFAOYSA-N
SMILES: CNc1[nH]c2c(n1)cc3c(c2CCNCC4CCCC4)N=CNC3=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 |
---|---|---|---|---|---|
3SM0 | Download | Experimental | e3sm0A1 | TIM beta/alpha-barrel | LigPlot |