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 |
|---|---|---|---|---|---|
| 7V14 | Download | Experimental | e7v14A1 | cradle loop barrel | LigPlot |
| 7V13 | Download | Experimental | e7v13A1 | cradle loop barrel | LigPlot |
| 7V11 | Download | Experimental | e7v11A1 | cradle loop barrel | LigPlot |
| 8BO7 | Download | Experimental | e8bo7AAA1 | cradle loop barrel | LigPlot |
| 4X6P | Download | Experimental | e4x6pA1 | cradle loop barrel | LigPlot |
| 7V17 | Download | Experimental | e7v17A1 | cradle loop barrel | LigPlot |
| 8BO6 | Download | Experimental | e8bo6AAA1 | cradle loop barrel | LigPlot |
| 8BO5 | Download | Experimental | e8bo5AAA1 | cradle loop barrel | LigPlot |
| 7V15 | Download | Experimental | e7v15A1 | cradle loop barrel | LigPlot |
| 7V16 | Download | Experimental | e7v16A1 | cradle loop barrel | LigPlot |
| 3SOR | Download | Experimental | e3sorA1 | cradle loop barrel | LigPlot |
| 7V12 | Download | Experimental | e7v12A1 | cradle loop barrel | LigPlot |
| 3SOS | Download | Experimental | e3sosA1 | cradle loop barrel | LigPlot |
| 6VLU | Download | Experimental | e6vluA1 | cradle loop barrel | LigPlot |
| 8BO3 | Download | Experimental | e8bo3AAA1 | cradle loop barrel | LigPlot |
| 7V10 | Download | Experimental | e7v10A1 | cradle loop barrel | LigPlot |
| 7V18 | Download | Experimental | e7v18A1 | cradle loop barrel | LigPlot |