PDB ligand accession: 4CA
DrugBank: DB04067
PubChem:
ChEMBL: n/a
InChI Key: FZQUTWRNQJPTSH-SXQYHYLKSA-N
SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSCc4ccc(cc4)O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Lipids and lipid-like molecules
- Class: S-alkyl-CoAs
- Subclass: None
- Class: S-alkyl-CoAs
- Superclass: Lipids and lipid-like molecules
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1LO8 | Download | Experimental | e1lo8A1 | Thioesterase/thiol ester dehydrase-isomerase-like | LigPlot |