PDB ligand accession: 840
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: TUHIUIGYYSZKCN-ACYPNERUSA-N
SMILES: CC1(C2C3(CC45C2(C4)OC5(C3O)C)C=CC1=O)CCC(=O)Nc6c(ccc(c6O)C(=O)O)O
Drug action: n/a
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 |
---|---|---|---|---|---|
3I8P | Download | Experimental | e3i8pA1 e3i8pA2 | Thiolase-like Thiolase-like | LigPlot |