PDB ligand accession: MYA
DrugBank: DB02180
PubChem:
ChEMBL: n/a
InChI Key: DUAFKXOFBZQTQE-QSGBVPJFSA-N
SMILES: CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Lipids and lipid-like molecules
- Class: Fatty Acyls
- Subclass: Fatty acyl thioesters
- Class: Fatty Acyls
- Superclass: Lipids and lipid-like molecules
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4KU2 | Download | Experimental | e4ku2A2 e4ku2B1 e4ku2A3 e4ku2B2 | Thiolase-like Thiolase-like Thiolase-like Thiolase-like | LigPlot |
4KU3 | Download | Experimental | e4ku3B1 e4ku3A3 e4ku3B2 | Thiolase-like Thiolase-like Thiolase-like | LigPlot |