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: inhibitor
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 |
---|---|---|---|---|---|
2FUS | Download | Experimental | e2fusA1 e2fusA3 e2fusB1 e2fusB3 | L-aspartase middle domain-like L-aspartase N-terminal domain-like L-aspartase middle domain-like L-aspartase N-terminal domain-like | LigPlot |
6NZC | Download | Experimental | e6nzcA2 e6nzcB1 | L-aspartase N-terminal domain-like L-aspartase N-terminal domain-like | LigPlot |
6NZ9 | Download | Experimental | e6nz9A1 e6nz9B1 | L-aspartase N-terminal domain-like L-aspartase middle domain-like | LigPlot |
1KQ7 | Download | Experimental | e1kq7A1 e1kq7A3 e1kq7B1 e1kq7B3 | L-aspartase middle domain-like L-aspartase N-terminal domain-like L-aspartase middle domain-like L-aspartase N-terminal domain-like | LigPlot |
1FUQ | Download | Experimental | e1fuqA1 e1fuqA3 e1fuqB1 e1fuqB3 | L-aspartase middle domain-like L-aspartase N-terminal domain-like L-aspartase middle domain-like L-aspartase N-terminal domain-like | LigPlot |
6NZA | Download | Experimental | e6nzaA1 e6nzaB2 | L-aspartase N-terminal domain-like L-aspartase N-terminal domain-like | LigPlot |
1FUO | Download | Experimental | e1fuoA1 e1fuoA3 e1fuoB1 e1fuoB3 | L-aspartase middle domain-like L-aspartase N-terminal domain-like L-aspartase middle domain-like L-aspartase N-terminal domain-like | LigPlot |
6NZB | Download | Experimental | e6nzbA1 e6nzbB1 | L-aspartase N-terminal domain-like L-aspartase N-terminal domain-like | LigPlot |