PDB ligand accession: AOY
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: OFOTXGOGHOCRQE-MDZDMXLPSA-N
SMILES: c1ccc(cc1)NC=C2CCCOC2=O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Aniline and substituted anilines
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5WI1 | Download | Experimental | e5wi1A3 e5wi1B3 e5wi1A1 e5wi1A3 e5wi1B1 | TIM beta/alpha-barrel alpha/beta-Hammerhead/Barrel-sandwich hybrid alpha/beta-Hammerhead/Barrel-sandwich hybrid TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |