PDB ligand accession: CIO
DrugBank: DB03849
PubChem: n/a
ChEMBL:
InChI Key: CFBUZOUXXHZCFB-OYOVHJISSA-N
SMILES: COc1ccc(cc1OC2CCCC2)C3(CCC(CC3)C(=O)O)C#N
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Phenol ethers
- Subclass: Anisoles
- Class: Phenol ethers
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1XLX | Download | Experimental | e1xlxA1 e1xlxB1 | PDEase-like PDEase-like | LigPlot |