PDB ligand accession: YBH
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: DJLHSAXTGGXZPX-UNMCSNQZSA-N
SMILES: c1ccc2c(c1)ncc(n2)Oc3ccc(cc3)C(=O)NCCCCC(c4cccs4)C(=O)NC(CC(=O)O)C=O
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organic oxygen compounds
- Class: Organooxygen compounds
- Subclass: Ethers
- Class: Organooxygen compounds
- Superclass: Organic oxygen compounds
# | DrugDomain Data | UniProt Accession | Protein name | Drug Action | Affinity data |
---|---|---|---|---|---|
1 | P29466_YBH | P29466 | Caspase-1 (CASP-1) (EC | n/a |