PDB ligand accession: 2WE
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: CYADPSMQNARVII-UHFFFAOYSA-N
SMILES: COc1c(sc(n1)c2ccnc(c2)NC(=O)C3CC3)C(=O)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Azoles
- Subclass: Thiazoles
- Class: Azoles
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4PTC | Download | Experimental | e4ptcA1 e4ptcB1 | Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |