PDB ligand accession: DXC
DrugBank: DB03619
PubChem:
ChEMBL:
InChI Key: KXGVEGMKQFWNSR-LLQZFEROSA-N
SMILES: CC(CCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Lipids and lipid-like molecules
- Class: Steroids and steroid derivatives
- Subclass: Bile acids, alcohols and derivatives
- Class: Steroids and steroid derivatives
- Superclass: Lipids and lipid-like molecules
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3R9V | Download | Experimental | e3r9vB2 e3r9vA1 | IpaD-like IpaD-like | LigPlot |