PDB ligand accession: ROF
DrugBank: DB01656
PubChem:
ChEMBL:
InChI Key: MNDBXUUTURYVHR-UHFFFAOYSA-N
SMILES: c1cc(c(cc1C(=O)Nc2c(cncc2Cl)Cl)OCC3CC3)OC(F)F
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Benzoic acids and derivatives
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
# | DrugDomain Data | UniProt Accession | Drug Action | Affinity data |
---|---|---|---|---|
1 | Q08499_ROF | Q08499 | inhibitor | IC50(nM) = 0.13 |
2 | Q07343_ROF | Q07343 | inhibitor | Ki(nM) = 0.398107 IC50(nM) = 0.15 |