PDB ligand accession: 2YW
DrugBank: n/a
PubChem: 91757943;135566932;
ChEMBL:
InChI Key: OYIIDOTURROWKC-UHFFFAOYSA-N
SMILES: COC(=O)c1ccc(cc1)CCNc2[nH]c3cc4c(cc3n2)N=C(NC4=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 |
---|---|---|---|---|---|
4Q8U | Download | Experimental | e4q8uA1 | TIM beta/alpha-barrel | LigPlot |