PDB ligand accession: U02
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: OORLDLMDGJZAFM-MNNSJKJDSA-N
SMILES: CCC(Cc1ccccc1)C2=CC(=C(C(=O)O2)C(c3cccc(c3)NC(=O)CCNC(=O)OC(C)(C)C)C4C=C4)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Phenylpropanoids and polyketides
- Class: Diarylheptanoids
- Subclass: Linear diarylheptanoids
- Class: Diarylheptanoids
- Superclass: Phenylpropanoids and polyketides
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2UPJ | Download | Experimental | e2upjA1 e2upjB1 | cradle loop barrel cradle loop barrel | LigPlot |