PDB ligand accession: 09G
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: DJYALAFSFGHFLN-YLJYHZDGSA-N
SMILES: c1ccc2c(c1)C3(CC(NC3)C(=O)OCc4ccc(c(c4)Br)C#N)C(=O)N2
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 |
---|---|---|---|---|---|
3UDY | Download | Experimental | e3udyA2 e3udyA3 | cradle loop barrel cradle loop barrel | LigPlot |