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 |
---|---|---|---|---|---|
5UUT | Download | Experimental | e5uutA2 e5uutB1 e5uutB2 | Nat/Ivy Nat/Ivy Nat/Ivy | LigPlot |
4C2Z | Download | Experimental | e4c2zA1 e4c2zA2 e4c2zB1 e4c2zB2 | Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy | LigPlot |
4C2Y | Download | Experimental | e4c2yA1 e4c2yA2 e4c2yB1 e4c2yB2 | Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy | LigPlot |