PDB ligand accession: 1JU
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: GFWJMMLPXBFICR-UHFFFAOYSA-N
SMILES: c1cc2c(cc1Cn3cnc4c3cc5c(c4)CCCC5)OCO2
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Tetralins
- Subclass: None
- Class: Tetralins
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4J4T | Download | Experimental | e4j4tA1 e4j4tD1 e4j4tB1 e4j4tB1 e4j4tC1 e4j4tE1 e4j4tG1 e4j4tF1 e4j4tH1 | Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like | LigPlot |