PDB ligand accession: 230
DrugBank: DB06920
PubChem:
ChEMBL:
InChI Key: QQBKAVAGLMGMHI-WIYYLYMNSA-N
SMILES: COC1CC(N(C1)C(=O)Nc2ccc(cc2)Cl)C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic acids and derivatives
- Class: Carboxylic acids and derivatives
- Subclass: Amino acids, peptides, and analogues
- Class: Carboxylic acids and derivatives
- Superclass: Organic acids and derivatives
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2PHB | Download | Experimental | e2phbA1 | cradle loop barrel | LigPlot |