PDB ligand accession: CBD
DrugBank: DB02633
PubChem: 172469;136700241;
ChEMBL:
InChI Key: YKCWQPZFAFZLBI-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)C(=O)c3c(cc(c(c3C2=O)N)S(=O)(=O)O)Nc4ccc(c(c4)S(=O)(=O)O)Nc5nc(nc(n5)Cl)Nc6ccccc6S(=O)(=O)O
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Anthracenes
- Subclass: Anthraquinones
- Class: Anthracenes
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3VI7 | Download | Experimental | e3vi7A1 e3vi7A2 e3vi7B1 e3vi7B2 | Repetitive alpha hairpins Thioredoxin-like Repetitive alpha hairpins Thioredoxin-like | LigPlot |