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 |
|---|---|---|---|---|---|
| 1GJ7 | Download | Experimental | e1gj7.1 | cradle loop barrel | LigPlot |
| 1O3P | Download | Experimental | e1o3p.1 | cradle loop barrel | LigPlot |
| 1GJA | Download | Experimental | e1gja.1 | cradle loop barrel | LigPlot |
| 1O5C | Download | Experimental | e1o5c.1 | cradle loop barrel | LigPlot |
| 1GI8 | Download | Experimental | e1gi8.1 | cradle loop barrel | LigPlot |
| 1GJB | Download | Experimental | e1gjb.1 | cradle loop barrel | LigPlot |
| 1O5B | Download | Experimental | e1o5b.1 | cradle loop barrel | LigPlot |
| 1GJD | Download | Experimental | e1gjd.1 | cradle loop barrel | LigPlot |
| 1O5A | Download | Experimental | e1o5a.1 | cradle loop barrel | LigPlot |
| 1GJ8 | Download | Experimental | e1gj8.1 | cradle loop barrel | LigPlot |
| 1GI7 | Download | Experimental | e1gi7.1 | cradle loop barrel | LigPlot |
| 1GI9 | Download | Experimental | e1gi9.1 | cradle loop barrel | LigPlot |
| 1GJC | Download | Experimental | e1gjc.1 | cradle loop barrel | LigPlot |
| 1GJ9 | Download | Experimental | e1gj9.1 | cradle loop barrel | LigPlot |