PDB ligand accession: 50P
DrugBank: n/a
PubChem: n/a
ChEMBL:
InChI Key: DHXKRMSKXLDZGY-UHFFFAOYSA-N
SMILES: CC(C)C1=C(Nc2c(cnn2C1=O)C#N)c3ccccc3
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Diazines
- Subclass: Pyrimidines and pyrimidine derivatives
- Class: Diazines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5CEH | Download | Experimental | e5cehA1 | jelly-roll | LigPlot |