PDB ligand accession: 0KR
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: HORHMTMHXZJNQJ-OAQYLSRUSA-N
SMILES: CC#Cc1cc(cnc1)c2cccc(c2)C3(C(=O)N(C(=N)N3)C)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 |
---|---|---|---|---|---|
4DJY | Download | Experimental | e4djyA2 e4djyA3 e4djyB2 e4djyB3 | cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel | LigPlot |