PDB ligand accession: 1WB
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: POSMIIJADZKUPL-UHFFFAOYSA-N
SMILES: COc1cc(cc(c1)C(=O)O)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 |
---|---|---|---|---|---|
4NI8 | Download | Experimental | e4ni8A1 e4ni8H1 e4ni8B1 e4ni8G1 e4ni8C1 e4ni8F1 e4ni8D1 e4ni8E1 | TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |