PDB ligand accession: L1O
DrugBank: n/a
PubChem: 23653529;44629586;
ChEMBL:
InChI Key: BCUWXCINVFOVDJ-UHFFFAOYSA-N
SMILES: c1c(cc(c(c1Cl)OCCN)Cl)C(=O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Benzoic acids and derivatives
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2VIO | Download | Experimental | e2vioA1 | cradle loop barrel | LigPlot |