PDB ligand accession: BDL
DrugBank: DB07446
PubChem:
ChEMBL: n/a
InChI Key: FBSVJQQVDISETN-QGZVFWFLSA-N
SMILES: CC(C)CC(C(=O)O)NS(=O)(=O)c1ccc(cc1)c2ccccc2
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 |
---|---|---|---|---|---|
3EHX | Download | Experimental | e3ehxA1 | Zincin-like | LigPlot |