PDB ligand accession: 9CJ
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: QSWJSOQQNWMPME-UHFFFAOYSA-N
SMILES: COc1cccc(c1)CC(=O)Nc2ccc(c(c2)c3cc(ccn3)C(=O)O)O
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 |
---|---|---|---|---|---|
5A80 | Download | Experimental | e5a80A1 e5a80B1 | jelly-roll jelly-roll | LigPlot |