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 |
---|---|---|---|---|---|
8BUG | Download | Experimental | e8bugH1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
8BUA | Download | Experimental | e8buaG2 e8buaH1 e8buaG3 e8buaH1 | beta-propeller-like Protein kinase/SAICAR synthase/ATP-grasp HTH Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
8BUQ | Download | Experimental | e8buqH1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
8BUB | Download | Experimental | e8bubH1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |