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 |
---|---|---|---|---|---|
8F1H | Download | Experimental | e8f1hA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
8F1Y | Download | Experimental | e8f1yA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
7LGS | Download | Experimental | e7lgsA1 e7lgsB1 | Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
7T4J | Download | Experimental | e7t4jB1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |
8F1Z | Download | Experimental | e8f1zA1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |