PDB ligand accession: ID5
DrugBank: DB02834
PubChem:
ChEMBL:
InChI Key: ZCAGEXZTORJQDZ-UHFFFAOYSA-N
SMILES: c1cc(c(cc1F)OCC(=O)O)C(=O)NCc2nc3c(c(cc(c3s2)F)F)F
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Phenoxyacetic acid derivatives
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
1T40 | Download | Experimental | e1t40A1 | TIM beta/alpha-barrel | LigPlot |