PDB ligand accession: 3EO
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: DGCPGLRWAMIHKS-GYSPVFRISA-N
SMILES: CC(C)c1csc(n1)c2cc(c3ccc(cc3n2)OC)OCC4CC5N4C(=O)NC6(CC6C=CCCCCN(C5=O)C)C(=O)NS(=O)(=O)C7(CC7)C
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 |
---|---|---|---|---|---|
4TYD | Download | Experimental | e4tydA1 e4tydD1 e4tydB1 e4tydE1 e4tydB1 e4tydC1 e4tydD1 e4tydF1 e4tydC1 e4tydE1 e4tydA1 e4tydF1 e4tydG1 e4tydM1 e4tydG1 e4tydH1 e4tydJ1 e4tydL1 e4tydJ1 e4tydK1 e4tydK1 e4tydL1 e4tydH1 e4tydM1 | cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel | LigPlot |