PDB ligand accession: 56H
DrugBank: DB05969
PubChem:
ChEMBL:
InChI Key: OUSFTKFNBAZUKL-UHFFFAOYSA-N
SMILES: CC(C)(C)c1cnc(o1)CSc2cnc(s2)NC(=O)C3CCNCC3
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Piperidines
- Subclass: Piperidinecarboxylic acids and derivatives
- Class: Piperidines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5D1J | Download | Experimental | e5d1jA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |