PDB ligand accession: 2YM
DrugBank: n/a
PubChem: 75277395;135566927;
ChEMBL:
InChI Key: BIGVTSCIEIRKFZ-UHFFFAOYSA-N
SMILES: c1c2c(cc3c1nc([nH]3)NCCN4CCCCC4)NC(=NC2=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 |
---|---|---|---|---|---|
4Q4O | Download | Experimental | e4q4oA1 | TIM beta/alpha-barrel | LigPlot |