PDB ligand accession: MMS
DrugBank: DB01055
PubChem: 440473;6971294;
ChEMBL:
InChI Key: WZNJWVWKTVETCG-YFKPBYRVSA-N
SMILES: C1=CN(C=C(C1=O)O)CC(C(=O)O)N
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
# | DrugDomain Data | UniProt Accession | Drug Action | Affinity data |
---|---|---|---|---|
1 | P17643_MMS | P17643 | n/a | |
2 | P34896_MMS | P34896 | inhibitor | |
3 | P14679_MMS | P14679 | inhibitor | Ki(nM) = 10300.0 IC50(nM) = 3680.0 |