PDB ligand accession: S79
DrugBank: DB08512
PubChem: 16750097;135566329;
ChEMBL: n/a
InChI Key: MCEZMMDIEXECTI-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)cccc2CNc3[nH]c4cc5c(cc4n3)C(=O)NC(=N5)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 |
---|---|---|---|---|---|
2QZR | Download | Experimental | e2qzrA1 | TIM beta/alpha-barrel | LigPlot |