PDB ligand accession: 2WU
DrugBank: n/a
PubChem: 24741807;135566919;
ChEMBL:
InChI Key: MRAWGMPHZYODAJ-UHFFFAOYSA-N
SMILES: CNc1[nH]c2cc3c(cc2n1)C(=O)NC(=N3)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 |
---|---|---|---|---|---|
4PUK | Download | Experimental | e4pukA1 | TIM beta/alpha-barrel | LigPlot |
4PUL | Download | Experimental | e4pulA1 | TIM beta/alpha-barrel | LigPlot |
4PUM | Download | Experimental | e4pumA1 | TIM beta/alpha-barrel | LigPlot |