PDB ligand accession: 5UB
DrugBank: n/a
PubChem: 112499935;135567107;
ChEMBL:
InChI Key: OBJLYJZXQQXIFV-UHFFFAOYSA-N
SMILES: c1cnc(c2c1C(=O)NC=N2)c3cscn3
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyridopyrimidines
- Subclass: Pyrido[3,4-d]pyrimidines
- Class: Pyridopyrimidines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5F39 | Download | Experimental | e5f39A1 e5f39B1 e5f39C1 e5f39D1 | jelly-roll jelly-roll jelly-roll jelly-roll | LigPlot |