PDB ligand accession: 6KC
DrugBank: n/a
PubChem: 121232426;135567179;
ChEMBL:
InChI Key: USMAPSJMQVFIAW-UHFFFAOYSA-N
SMILES: CN1CCN(CC1)C(=O)c2ccc(c(c2)c3ccccc3)NC(=O)c4csc5c4N=CNC5=O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Anilides
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5JGA | Download | Experimental | e5jgaA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |