PDB ligand accession: J77
DrugBank: DB08012
PubChem:
ChEMBL:
InChI Key: KCHIOGFOPPOUJC-UHFFFAOYSA-N
SMILES: CCOC(=O)c1ccc(cc1)OCCC2CCN(CC2)c3ccc(nn3)C
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Benzoic acids and derivatives
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1VBC | Download | Experimental | e1vbc11 e1vbc31 | jelly-roll jelly-roll | LigPlot |