PDB ligand accession: BD2
DrugBank: DB01940
PubChem:
ChEMBL: n/a
InChI Key: SQLYTJZXRRDERK-ISKFKSNPSA-N
SMILES: c1ccc(c(c1)C(=O)c2ccc(cc2)C(=O)OC3CCCNCC3NC(=O)c4ccc(cc4)O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Benzophenones
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1RE8 | Download | Experimental | e1re8A1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |