PDB ligand accession: BA1
DrugBank: DB04098
PubChem: 5287736;72200118;
ChEMBL:
InChI Key: XYUFCXJZFZPEJD-XMSQKQJNSA-N
SMILES: c1cc(c(c(c1)O)C(=O)c2c(cc(cc2O)C(=O)OC3CCCNCC3NC(=O)c4ccc(cc4)O)O)C(=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 |
---|---|---|---|---|---|
1BX6 | Download | Experimental | e1bx6A1 | Protein kinase/SAICAR synthase/ATP-grasp | LigPlot |