PDB ligand accession: 3XS
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: CRNTYYFZANKWHU-VXLYETTFSA-N
SMILES: COc1cccc(c1)c2csc(n2)NN=Cc3ccccc3C(=O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Benzoic acids and derivatives
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4LS2 | Download | Experimental | e4ls2A1 | TIM beta/alpha-barrel | LigPlot |