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 |
---|---|---|---|---|---|
4MDF | Download | Experimental | e4mdfA1 | P-loop domains-like | LigPlot |
4J6O | Download | Experimental | e4j6oA1 e4j6oB1 | Carbon-nitrogen hydrolase-like Carbon-nitrogen hydrolase-like | LigPlot |
4GP7 | Download | Experimental | e4gp7B1 e4gp7A1 | P-loop domains-like P-loop domains-like | LigPlot |