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 |
---|---|---|---|---|---|
6K0K | Download | Experimental | e6k0kA2 e6k0kA3 e6k0kC1 e6k0kC2 e6k0kD1 e6k0kD2 | PK C-terminal domain-like TIM beta/alpha-barrel TIM beta/alpha-barrel PK C-terminal domain-like TIM beta/alpha-barrel PK C-terminal domain-like | LigPlot |