PDB ligand accession: 5PI
DrugBank: DB04606
PubChem:
ChEMBL: n/a
InChI Key: UHMORXPPNXDKHY-LOSJGSFVSA-N
SMILES: CCCOc1ccc2c(c1)c(c[nH]2)CC(C(=O)NC(CCC(=O)N)C(=O)NCc3ccc(cc3)C(=N)N)NS(=O)(=O)CC
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 |
---|---|---|---|---|---|
1WV7 | Download | Experimental | e1wv7H1 | cradle loop barrel | LigPlot |