PDB ligand accession: E89
DrugBank: DB07704
PubChem: 5326930;135476766;
ChEMBL:
InChI Key: UKRVQKUVWNDGMN-UHFFFAOYSA-N
SMILES: COc1ccc(cc1)CCc2c3c(cc4c2N=C(NC4=O)N)[nH]cn3
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Phenylpropanoids and polyketides
- Class: Stilbenes
- Subclass: None
- Class: Stilbenes
- Superclass: Phenylpropanoids and polyketides
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5I06 | Download | Experimental | e5i06A1 | TIM beta/alpha-barrel | LigPlot |
1Y5X | Download | Experimental | e1y5xA1 e1y5xD1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |