PDB ligand accession: DAK
DrugBank: DB04117
PubChem:
ChEMBL: n/a
InChI Key: WWUPGKDRUIPTRA-XITLLWRLSA-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)NCCSC(=O)C=Cc4ccc(cc4)N(C)C)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 |
---|---|---|---|---|---|
1EY3 | Download | Experimental | e1ey3A1 e1ey3B1 e1ey3B1 e1ey3C1 e1ey3A1 e1ey3C1 e1ey3E1 e1ey3D1 e1ey3F1 e1ey3E1 e1ey3F1 e1ey3D1 | ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase ClpP/crotonase | LigPlot |