PDB ligand accession: ILE
DrugBank: DB00167
PubChem: 6306;7043901;
ChEMBL:
InChI Key: AGPKZVBTJJNPAG-WHFBIAKZSA-N
SMILES: CCC(C)C(C(=O)O)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic acids and derivatives
- Class: Carboxylic acids and derivatives
- Subclass: Amino acids, peptides, and analogues
- 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 |
---|---|---|---|---|---|
2ZBC | Download | Experimental | e2zbcA1 e2zbcC1 e2zbcD1 e2zbcB1 e2zbcE1 e2zbcH1 e2zbcG1 e2zbcF1 e2zbcH1 e2zbcE1 e2zbcG1 | Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits | LigPlot |