PDB ligand accession: 4TR
DrugBank: DB04600
PubChem:
ChEMBL:
InChI Key: GHDKYBCUDPSXGJ-UHFFFAOYSA-N
SMILES: c1cc(ccc1C#N)N(Cc2ccc(c(c2)Br)OS(=O)(=O)N)n3cnnc3
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Phenylhydrazines
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1XQ0 | Download | Experimental | e1xq0A1 | Carbonic anhydrase | LigPlot |