PDB ligand accession: H7J
DrugBank: DB07878
PubChem:
ChEMBL: n/a
InChI Key: OEHUTYXPQSSKAK-RVLLMHTFSA-N
SMILES: CC=CCC(C(=O)C)n1cc(nn1)C(C)(C(C)C)NC(=O)c2ccccc2
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Benzoic acids and derivatives
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2H7J | Download | Experimental | e2h7jA2 e2h7jB1 e2h7jB1 | Cysteine proteinases-like Cysteine proteinases-like Cysteine proteinases-like | LigPlot |
2HXZ | Download | Experimental | e2hxzB2 e2hxzA1 e2hxzB2 e2hxzC1 e2hxzA1 | Cysteine proteinases-like Cysteine proteinases-like Cysteine proteinases-like Cysteine proteinases-like Cysteine proteinases-like | LigPlot |