PDB ligand accession: CIT
DrugBank: DB04272
PubChem: 311;19782904;88113319;
ChEMBL:
InChI Key: KRKNYBCHXYNGOX-UHFFFAOYSA-N
SMILES: C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic acids and derivatives
- Class: Carboxylic acids and derivatives
- Subclass: Tricarboxylic acids and derivatives
- Class: Carboxylic acids and derivatives
- Superclass: Organic acids and derivatives
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3WL5 | Download | Experimental | e3wl5A1 | alpha/beta-Hydrolases | LigPlot |
3WL8 | Download | Experimental | e3wl8A1 | alpha/beta-Hydrolases | LigPlot |
3WL7 | Download | Experimental | e3wl7A1 | alpha/beta-Hydrolases | LigPlot |
3WL6 | Download | Experimental | e3wl6B1 | alpha/beta-Hydrolases | LigPlot |
3WWD | Download | Experimental | e3wwdA1 | alpha/beta-Hydrolases | LigPlot |
3WWC | Download | Experimental | e3wwcA1 | alpha/beta-Hydrolases | LigPlot |