PDB ligand accession: TA1
DrugBank: DB01229
PubChem:
ChEMBL:
InChI Key: RCINICONZNJXQF-MZXODVADSA-N
SMILES: CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)OC(=O)C
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Lipids and lipid-like molecules
- Class: Prenol lipids
- Subclass: Diterpenoids
- Class: Prenol lipids
- Superclass: Lipids and lipid-like molecules
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5W3J | Download | Experimental | e5w3jB1 e5w3jB2 | Bacillus chorismate mutase-like Rossmann-like | LigPlot |