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 |
---|---|---|---|---|---|
5L6Z | Download | Experimental | e5l6zA1 e5l6zA2 | cradle loop barrel Phosphorylase/hydrolase-like | LigPlot |
5NE6 | Download | Experimental | e5ne6A1 | Phosphorylase/hydrolase-like | LigPlot |
5NE7 | Download | Experimental | e5ne7B1 e5ne7B2 | cradle loop barrel Phosphorylase/hydrolase-like | LigPlot |