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
Drug action: inhibitor
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
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3G4L | Download | Experimental | e3g4lA1 e3g4lB1 e3g4lC1 e3g4lD1 | PDEase-like PDEase-like PDEase-like PDEase-like | LigPlot |
1XOQ | Download | Experimental | e1xoqA1 e1xoqB1 | PDEase-like PDEase-like | LigPlot |