PDB ligand accession: S98
DrugBank: DB08514
PubChem: 24741808;135800218;
ChEMBL:
InChI Key: IQKMJWDYMFWZRF-UHFFFAOYSA-N
SMILES: c1cc(sc1)CNc2[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 |
---|---|---|---|---|---|
4Q4S | Download | Experimental | e4q4sA1 | TIM beta/alpha-barrel | LigPlot |