PDB ligand accession: FC4
DrugBank: n/a
PubChem: 121225603;135567177;
ChEMBL: n/a
InChI Key: JDIGFAGHWNBGPU-LLVKDONJSA-N
SMILES: CC(C(=O)Nc1ccc(cc1)S(=O)(=O)N)SC2=NC(=C(C(=O)N2)C#N)c3ccc(cc3)Cl
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Diazines
- Subclass: Pyrimidines and pyrimidine derivatives
- Class: Diazines
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5J8Z | Download | Experimental | e5j8zA1 | Carbonic anhydrase | LigPlot |