PDB ligand accession: 9IP
DrugBank: DB07303
PubChem:
ChEMBL:
InChI Key: PGAWZMRRCVSRIM-UHFFFAOYSA-N
SMILES: COc1cc(cnc1)c2cccc(c2)CNc3cccnc3N
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 |
---|---|---|---|---|---|
2OHS | Download | Experimental | e2ohsA2 e2ohsA3 | cradle loop barrel cradle loop barrel | LigPlot |