PDB ligand accession: ITE
DrugBank: n/a
PubChem: 44820625;135566565;
ChEMBL:
InChI Key: DGRUEIDKEKQZFU-UHFFFAOYSA-N
SMILES: CNc1[nH]c2cc3c(cc2n1)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 |
---|---|---|---|---|---|
3S1G | Download | Experimental | e3s1gA1 | TIM beta/alpha-barrel | LigPlot |
6YH2 | Download | Experimental | e6yh2A1 | TIM beta/alpha-barrel | LigPlot |
4GHR | Download | Experimental | e4ghrA1 | TIM beta/alpha-barrel | LigPlot |