PDB ligand accession: FWS
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: JSXIXDYOQGCEHK-HNNXBMFYSA-N
SMILES: CC1CN(CCN1C(=O)Nc2ccc3c(c2)OCO3)S(=O)(=O)c4cccc5c4ccnc5
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 |
---|---|---|---|---|---|
6D4T | Download | Experimental | e6d4tA1 | TIM beta/alpha-barrel | LigPlot |