PDB ligand accession: U04
DrugBank: DB08664
PubChem:
ChEMBL: n/a
InChI Key: QUQQVMVIWCUYFV-KRWDZBQOSA-N
SMILES: CCC(c1cccc(c1)NC(=O)CNC(=O)OC(C)(C)C)C2=C(c3ccccc3OC2=O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Phenylpropanoids and polyketides
- Class: Coumarins and derivatives
- Subclass: Hydroxycoumarins
- Class: Coumarins and derivatives
- Superclass: Phenylpropanoids and polyketides
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4UPJ | Download | Experimental | e4upjA1 e4upjB1 | cradle loop barrel cradle loop barrel | LigPlot |