PDB ligand accession: F49
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: PNUIJCFYKFVAMT-UHFFFAOYSA-N
SMILES: COc1c(c(c(c(c1Br)Br)Br)Br)CN2C(=O)C=CN(C2=O)CC(=O)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 |
---|---|---|---|---|---|
4XZL | Download | Experimental | e4xzlX1 | TIM beta/alpha-barrel | LigPlot |