PDB ligand accession: 167
DrugBank: DB06866
PubChem:
ChEMBL: n/a
InChI Key: NMOUMGFCBOWPAB-RZUBCFFCSA-N
SMILES: COc1cccc(c1)c2ccc3c(c2)CC(C3C(CCCCC(=N)N)C(=O)O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Indanes
- Subclass: None
- Class: Indanes
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1QJ6 | Download | Experimental | e1qj6.1 | cradle loop barrel | LigPlot |