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: inhibitor
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 |
---|---|---|---|---|---|
3SBL | Download | Experimental | e3sblA1 | Metallo-hydrolase/oxidoreductase | LigPlot |
3SFP | Download | Experimental | e3sfpA1 e3sfpB1 e3sfpC1 e3sfpD1 | Metallo-hydrolase/oxidoreductase Metallo-hydrolase/oxidoreductase Metallo-hydrolase/oxidoreductase Metallo-hydrolase/oxidoreductase | LigPlot |