PDB ligand accession: 9QA
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: CITWIBXKKHFDFM-UHFFFAOYSA-N
SMILES: c1ccc(cc1)CCC(=O)N2CCC(CC2)(CN3C=Nc4cc(ccc4C3=O)Cl)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Diazanaphthalenes
- Subclass: Benzodiazines
- Class: Diazanaphthalenes
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5VSB | Download | Experimental | e5vsbA1 e5vsbB1 | Cysteine proteinases-like Cysteine proteinases-like | LigPlot |