PDB ligand accession: 4KD
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: BDKQEENATAIJAQ-UHFFFAOYSA-N
SMILES: COc1cc2c(cc1OC)CN(CC2)C(=O)c3ccc(cc3)S(=O)(=O)N
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Isoquinolines and derivatives
- Subclass: Benzylisoquinolines
- Class: Isoquinolines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4Z1N | Download | Experimental | e4z1nA1 | Carbonic anhydrase | LigPlot |