PDB ligand accession: MOA
DrugBank: DB01024
PubChem:
ChEMBL:
InChI Key: HPNSFSBZBAHARI-RUDMXATFSA-N
SMILES: Cc1c2c(c(c(c1OC)CC=C(C)CCC(=O)O)O)C(=O)OC2
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Isocoumarans
- Subclass: Isobenzofuranones
- Class: Isocoumarans
- Superclass: Organoheterocyclic compounds
# | DrugDomain Data | UniProt Accession | Drug Action | Affinity data |
---|---|---|---|---|
1 | P12268_MOA | P12268 | inhibitor | Ki(nM) = 6.0 IC50(nM) = 11.0 EC50(nM) = 540.0 |
2 | E3P6S0_MOA | E3P6S0 | n/a | |
3 | Q9KTW3_MOA | Q9KTW3 | n/a | |
4 | P02768_MOA | P02768 | n/a | |
5 | P20839_MOA | P20839 | inhibitor | Ki(nM) = 33.0 IC50(nM) = 19.0 |
6 | P12269_MOA | P12269 | n/a | |
7 | P50097_MOA | P50097 | n/a |