PDB ligand accession: 511
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: DHEMTWWLRLOBKI-UHFFFAOYSA-N
SMILES: COc1ccc2c(c1)c(cn2C(=O)c3ccc(cc3)Cl)CC(=O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Indoles and derivatives
- Subclass: Benzoylindoles
- Class: Indoles and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4DBW | Download | Experimental | e4dbwA1 e4dbwB1 | TIM beta/alpha-barrel TIM beta/alpha-barrel | LigPlot |