PDB ligand accession: 0KQ
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: SZDQNTKTWBPIBH-GOSISDBHSA-N
SMILES: CN1C(=O)C(NC1=N)(c2cccc(c2)c3cc(cnc3)Cl)C4CC4
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Pyridines and derivatives
- Subclass: Phenylpyridines
- Class: Pyridines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4DJX | Download | Experimental | e4djxA2 e4djxA3 e4djxB2 e4djxB3 | cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel | LigPlot |