PDB ligand accession: HQT
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: RTPXYUZLLYULJQ-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)C=CN(C2=S)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Isoquinolines and derivatives
- Subclass: None
- Class: Isoquinolines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4Q8Y | Download | Experimental | e4q8yA1 | Carbonic anhydrase | LigPlot |