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 |
---|---|---|---|---|---|
5AWV | Download | Experimental | e5awvA1 e5awvA2 e5awvB1 e5awvB2 e5awvC1 e5awvC2 e5awvA2 e5awvD1 e5awvD2 | FAD-binding domain-like Alpha-beta plaits FAD-binding domain-like Alpha-beta plaits Alpha-beta plaits FAD-binding domain-like Alpha-beta plaits FAD-binding domain-like Alpha-beta plaits | LigPlot |