PDB ligand accession: 2YV
DrugBank: n/a
PubChem: 57339810;135566931;
ChEMBL:
InChI Key: IGMWKNNADHYQOB-UHFFFAOYSA-N
SMILES: 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 |
---|---|---|---|---|---|
4Q8T | Download | Experimental | e4q8tA1 | TIM beta/alpha-barrel | LigPlot |