PDB ligand accession: 6OK
DrugBank: n/a
PubChem: 121488113;135567189;
ChEMBL:
InChI Key: RGCYFFRYXJGABS-UHFFFAOYSA-N
SMILES: c1cc(ccc1CCNc2[nH]c3cc4c(cc3n2)N=C(NC4=O)N)CCO
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 |
---|---|---|---|---|---|
5JXQ | Download | Experimental | e5jxqA1 | TIM beta/alpha-barrel | LigPlot |