PDB ligand accession: CK1
DrugBank: DB03019
PubChem:
ChEMBL: n/a
InChI Key: PAPYICJQRHSQGK-UHFFFAOYSA-N
SMILES: c1cnc(nc1c2cc(sc2Cl)Cl)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Thiophenes
- Subclass: 2,3,5-trisubstituted thiophenes
- Class: Thiophenes
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1PXI | Download | Experimental | e1pxiA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |