PDB ligand accession: VAL
DrugBank: DB00161
PubChem: 6287;6971018;88733505;
ChEMBL:
InChI Key: KZSNJWFQEVHDMF-BYPYZUCNSA-N
SMILES: CC(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 |
---|---|---|---|---|---|
5YPP | Download | Experimental | e5yppA1 e5yppB1 e5yppC1 e5yppD1 e5yppE1 e5yppF1 | Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits | LigPlot |
5YPY | Download | Experimental | e5ypyA1 e5ypyB1 e5ypyC1 e5ypyD1 | Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits | LigPlot |