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 |
---|---|---|---|---|---|
1XF1 | Download | Experimental | e1xf1A1 e1xf1A2 e1xf1B5 e1xf1A5 e1xf1B1 e1xf1B2 | The "swivelling" beta/beta/alpha domains Subtilisin-like Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich The "swivelling" beta/beta/alpha domains Subtilisin-like | LigPlot |