PDB ligand accession: BHB
DrugBank: DB04004
PubChem: 448017;5287783;135445363;
ChEMBL: n/a
InChI Key: FDIXHXDLCOSDFY-UHFFFAOYSA-N
SMILES: CN(C)CCSCc1cc(cc2c1N=C(NC2=O)N)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 |
---|---|---|---|---|---|
1Q65 | Download | Experimental | e1q65A1 | TIM beta/alpha-barrel | LigPlot |