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 |
---|---|---|---|---|---|
6Q1Q | Download | Experimental | e6q1qA1 | a+b domain in D-aminoacid aminotransferase-like PLP-dependent enzymes | LigPlot |
6Q1S | Download | Experimental | e6q1sC2 | barrel domain in D-aminoacid aminotransferase-like PLP-dependent enzymes | LigPlot |
6Q1R | Download | Experimental | e6q1rA2 e6q1rA2 e6q1rC2 | barrel domain in D-aminoacid aminotransferase-like PLP-dependent enzymes barrel domain in D-aminoacid aminotransferase-like PLP-dependent enzymes a+b domain in D-aminoacid aminotransferase-like PLP-dependent enzymes | LigPlot |