PDB ligand accession: NA3
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: FBMPVEGAIMRCBG-QMMMGPOBSA-N
SMILES: c1c(cncc1Br)C(=O)NC(CC(=O)O)C=O
Drug action: n/a
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 |
---|---|---|---|---|---|
1RE1 | Download | Experimental | e1re1.1 | Caspase-like | LigPlot |