PDB ligand accession: 0V3
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: UUKLQSWLBLNLAR-SAABIXHNSA-N
SMILES: CNc1[nH]c2cc3c(c(c2n1)CCNCC4CCC(CC4)C#Cc5cccnc5)N=C(NC3=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 |
---|---|---|---|---|---|
4FSA | Download | Experimental | e4fsaA1 | TIM beta/alpha-barrel | LigPlot |
4FR6 | Download | Experimental | e4fr6A1 | TIM beta/alpha-barrel | LigPlot |