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 |
---|---|---|---|---|---|
7P7G | Download | Experimental | e7p7gA1 e7p7gB1 | Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
6GZM | Download | Experimental | e6gzmA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |