PDB ligand accession: S2X
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: KWHVUGFDWSYWJF-UHFFFAOYSA-N
SMILES: CC(=O)Nc1ccc(c(c1)c2cc(ccn2)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 |
---|---|---|---|---|---|
5A7S | Download | Experimental | e5a7sA1 e5a7sB1 | jelly-roll jelly-roll | LigPlot |