PDB ligand accession: NPS
DrugBank: DB00788
PubChem:
ChEMBL:
InChI Key: CMWTZPSULFXXJA-VIFPVBQESA-N
SMILES: CC(c1ccc2cc(ccc2c1)OC)C(=O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Naphthalenes
- Subclass: None
- Class: Naphthalenes
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4JQ1 | Download | Experimental | e4jq1A1 e4jq1B1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |