PDB ligand accession: 3GT
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: WKPWGQKGSOKKOO-RSFHAFMBSA-N
SMILES: CC1C2CC(C(C=CC=C(Cc3cc(c(c(c3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC(=O)C(C)N(C)C(=O)C)C)C)OC)(NC(=O)O2)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Phenylpropanoids and polyketides
- Class: Macrolactams
- Subclass: None
- Class: Macrolactams
- Superclass: Phenylpropanoids and polyketides
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4TV8 | Download | Experimental | e4tv8D1 e4tv8D2 | Bacillus chorismate mutase-like Rossmann-like | LigPlot |