PDB ligand accession: 512
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: VDPVVSMGWNMCBP-UHFFFAOYSA-N
SMILES: c1c(c(c(s1)C(=O)O)OCC(=O)O)Br
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Thiophenes
- Subclass: Thiophene carboxylic acids and derivatives
- Class: Thiophenes
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2HB1 | Download | Experimental | e2hb1A1 | Flavodoxin-like | LigPlot |