PDB ligand accession: JU5
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: GQWCXNBMVVVKQB-MHZLTWQESA-N
SMILES: CCN(CC)c1ccc2c(c1)OC(=O)C(=C2)c3nc(cs3)CN4CCCC(C4)CN(CCN(C)C)C(=O)c5ccc6ccccc6c5
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Naphthalenes
- Subclass: Naphthalenecarboxylic acids and derivatives
- Class: Naphthalenes
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
6R6V | Download | Experimental | e6r6vA1 | alpha/beta-Hydrolases | LigPlot |